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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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