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

Systemtic Name: 1-[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Openeye Name: 3-benzyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea CAS Name: 1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)-1-[2-(1-pyrrolidin-1-iumyl)ethyl]urea IUPAC Name: 3-benzyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Traditional Name: 3-benzyl-1-[(2-keto-6-methoxy-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Formula: C25H31N4O3+ MolecularWeight: 435.53864

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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)NCC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+]3CCCC3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O3/c1-32-22-9-10-23-20(16-22)15-21(24(30)27-23)18-29(14-13-28-11-5-6-12-28)25(31)26-17-19-7-3-2-4-8-19/h2-4,7-10,15-16H,5-6,11-14,17-18H2,1H3,(H,26,31)(H,27,30)/p+1