2-azanyl-4-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]-7,7-dimethyl-5-oxidanylidene-1-pyridin-1-ium-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]-7,7-dimethyl-5-oxidanylidene-1-pyridin-1-ium-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]-7,7-dimethyl-5-oxo-1-pyridin-1-ium-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-[4-methoxy-3-(4-morpholin-4-iumylmethyl)phenyl]-7,7-dimethyl-5-oxo-1-(3-pyridin-1-iumyl)-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]-7,7-dimethyl-5-oxo-1-pyridin-1-ium-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-5-keto-4-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]-7,7-dimethyl-1-pyridin-1-ium-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C29H35N5O3+2 MolecularWeight: 501.6199

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2C3=C[NH+]=CC=C3)N)C#N)C4=CC(=C(C=C4)OC)C[NH+]5CCOCC5)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2C3=C[NH+]=CC=C3)N)C#N)C4=CC(=C(C=C4)OC)C[NH+]5CCOCC5)C(=O)C1)C

InChI

InChI=1S/C29H33N5O3/c1-29(2)14-23-27(24(35)15-29)26(22(16-30)28(31)34(23)21-5-4-8-32-17-21)19-6-7-25(36-3)20(13-19)18-33-9-11-37-12-10-33/h4-8,13,17,26H,9-12,14-15,18,31H2,1-3H3/p+2