1-[3-(azepan-1-ium-1-yl)propyl]-3-[(3S)-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]urea

Systemtic Name: 1-[3-(azepan-1-ium-1-yl)propyl]-3-[(3S)-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]urea Openeye Name: 1-[3-(azepan-1-ium-1-yl)propyl]-3-[(3S)-5-oxo-1-(p-tolyl)pyrrolidin-3-yl]urea CAS Name: 1-[3-(1-azepan-1-iumyl)propyl]-3-[(3S)-1-(4-methylphenyl)-5-oxo-3-pyrrolidinyl]urea IUPAC Name: 1-[3-(azepan-1-ium-1-yl)propyl]-3-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea Traditional Name: 1-[3-(azepan-1-ium-1-yl)propyl]-3-[(3S)-5-keto-1-(p-tolyl)pyrrolidin-3-yl]urea Formula: C21H33N4O2+ MolecularWeight: 373.51232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(CC2=O)NC(=O)NCCC[NH+]3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)N2C[C@H](CC2=O)NC(=O)NCCC[NH+]3CCCCCC3

InChI

InChI=1S/C21H32N4O2/c1-17-7-9-19(10-8-17)25-16-18(15-20(25)26)23-21(27)22-11-6-14-24-12-4-2-3-5-13-24/h7-10,18H,2-6,11-16H2,1H3,(H2,22,23,27)/p+1/t18-/m0/s1