1-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)urea

Systemtic Name: 1-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Openeye Name: 3-benzyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea CAS Name: 1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)-1-[2-(1-pyrrolidin-1-iumyl)ethyl]urea IUPAC Name: 3-benzyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Traditional Name: 3-benzyl-1-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Formula: C26H33N4O2+ MolecularWeight: 433.56582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CC[NH+]3CCCC3)C(=O)NCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CC[NH+]3CCCC3)C(=O)NCC4=CC=CC=C4)C

InChI

InChI=1S/C26H32N4O2/c1-19-14-20(2)23-16-22(25(31)28-24(23)15-19)18-30(13-12-29-10-6-7-11-29)26(32)27-17-21-8-4-3-5-9-21/h3-5,8-9,14-16H,6-7,10-13,17-18H2,1-2H3,(H,27,32)(H,28,31)/p+1