1-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenyl-1-(2-pyrrolidin-1-ium-1-ylethyl)urea

Systemtic Name: 1-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenyl-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Openeye Name: 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(2-pyrrolidin-1-ium-1-ylethyl)urea CAS Name: 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-[2-(1-pyrrolidin-1-iumyl)ethyl]urea IUPAC Name: 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenyl-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Traditional Name: 1-[(2-keto-6-methoxy-1H-quinolin-3-yl)methyl]-3-phenyl-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Formula: C24H29N4O3+ MolecularWeight: 421.51206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+]3CCCC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+]3CCCC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O3/c1-31-21-9-10-22-18(16-21)15-19(23(29)26-22)17-28(14-13-27-11-5-6-12-27)24(30)25-20-7-3-2-4-8-20/h2-4,7-10,15-16H,5-6,11-14,17H2,1H3,(H,25,30)(H,26,29)/p+1