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

Systemtic Name: 1-methyl-3-[(3S)-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-1-(1-methylpiperidin-1-ium-4-yl)urea Openeye Name: 1-methyl-1-(1-methylpiperidin-1-ium-4-yl)-3-[(3S)-5-oxo-1-(p-tolyl)pyrrolidin-3-yl]urea CAS Name: 1-methyl-3-[(3S)-1-(4-methylphenyl)-5-oxo-3-pyrrolidinyl]-1-(1-methyl-4-piperidin-1-iumyl)urea IUPAC Name: 1-methyl-3-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1-(1-methylpiperidin-1-ium-4-yl)urea Traditional Name: 3-[(3S)-5-keto-1-(p-tolyl)pyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-1-ium-4-yl)urea Formula: C19H29N4O2+ MolecularWeight: 345.45916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(CC2=O)NC(=O)N(C)C3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C[C@H](CC2=O)NC(=O)N(C)C3CC[NH+](CC3)C

InChI

InChI=1S/C19H28N4O2/c1-14-4-6-17(7-5-14)23-13-15(12-18(23)24)20-19(25)22(3)16-8-10-21(2)11-9-16/h4-7,15-16H,8-13H2,1-3H3,(H,20,25)/p+1/t15-/m0/s1