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

Systemtic Name: 3-[(3S)-1-(3,4-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-1-ium-4-yl)urea Openeye Name: 3-[(3S)-1-(3,4-dimethylphenyl)-5-oxo-pyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-1-ium-4-yl)urea CAS Name: 3-[(3S)-1-(3,4-dimethylphenyl)-5-oxo-3-pyrrolidinyl]-1-methyl-1-(1-methyl-4-piperidin-1-iumyl)urea IUPAC Name: 3-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-1-ium-4-yl)urea Traditional Name: 3-[(3S)-1-(3,4-dimethylphenyl)-5-keto-pyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-1-ium-4-yl)urea Formula: C20H31N4O2+ MolecularWeight: 359.48574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O2/c1-14-5-6-18(11-15(14)2)24-13-16(12-19(24)25)21-20(26)23(4)17-7-9-22(3)10-8-17/h5-6,11,16-17H,7-10,12-13H2,1-4H3,(H,21,26)/p+1/t16-/m0/s1