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

Systemtic Name: 1-methyl-1-(1-methylpiperidin-1-ium-4-yl)-3-[(3S)-5-oxidanylidene-1-phenyl-pyrrolidin-3-yl]urea Openeye Name: 1-methyl-1-(1-methylpiperidin-1-ium-4-yl)-3-[(3S)-5-oxo-1-phenyl-pyrrolidin-3-yl]urea CAS Name: 1-methyl-1-(1-methyl-4-piperidin-1-iumyl)-3-[(3S)-5-oxo-1-phenyl-3-pyrrolidinyl]urea IUPAC Name: 1-methyl-1-(1-methylpiperidin-1-ium-4-yl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea Traditional Name: 3-[(3S)-5-keto-1-phenyl-pyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-1-ium-4-yl)urea Formula: C18H27N4O2+ MolecularWeight: 331.43258

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C(=O)NC2CC(=O)N(C2)C3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C(=O)N[C@H]2CC(=O)N(C2)C3=CC=CC=C3

InChI

InChI=1S/C18H26N4O2/c1-20-10-8-15(9-11-20)21(2)18(24)19-14-12-17(23)22(13-14)16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H,19,24)/p+1/t14-/m0/s1