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

Systemtic Name: 1-[(3S)-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-3-(3-piperidin-1-ium-1-ylpropyl)urea Openeye Name: 1-[(3S)-5-oxo-1-(p-tolyl)pyrrolidin-3-yl]-3-(3-piperidin-1-ium-1-ylpropyl)urea CAS Name: 1-[(3S)-1-(4-methylphenyl)-5-oxo-3-pyrrolidinyl]-3-[3-(1-piperidin-1-iumyl)propyl]urea IUPAC Name: 1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-(3-piperidin-1-ium-1-ylpropyl)urea Traditional Name: 1-[(3S)-5-keto-1-(p-tolyl)pyrrolidin-3-yl]-3-(3-piperidin-1-ium-1-ylpropyl)urea Formula: C20H31N4O2+ MolecularWeight: 359.48574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(CC2=O)NC(=O)NCCC[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)N2C[C@H](CC2=O)NC(=O)NCCC[NH+]3CCCCC3

InChI

InChI=1S/C20H30N4O2/c1-16-6-8-18(9-7-16)24-15-17(14-19(24)25)22-20(26)21-10-5-13-23-11-3-2-4-12-23/h6-9,17H,2-5,10-15H2,1H3,(H2,21,22,26)/p+1/t17-/m0/s1