N-[3-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]propyl]pyridine-4-carboxamide

Systemtic Name: N-[3-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]propyl]pyridine-4-carboxamide Openeye Name: N-[3-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]propyl]pyridine-4-carboxamide CAS Name: N-[3-[(3-cyano-5,7-dimethyl-2-quinolin-1-iumyl)amino]propyl]-4-pyridinecarboxamide IUPAC Name: N-[3-[(3-cyano-5,7-dimethylquinolin-1-ium-2-yl)amino]propyl]pyridine-4-carboxamide Traditional Name: N-[3-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]propyl]isonicotinamide Formula: C21H22N5O+ MolecularWeight: 360.43228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=[NH+]C2=C1)NCCCNC(=O)C3=CC=NC=C3)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=[NH+]C2=C1)NCCCNC(=O)C3=CC=NC=C3)C#N)C

InChI

InChI=1S/C21H21N5O/c1-14-10-15(2)18-12-17(13-22)20(26-19(18)11-14)24-6-3-7-25-21(27)16-4-8-23-9-5-16/h4-5,8-12H,3,6-7H2,1-2H3,(H,24,26)(H,25,27)/p+1