3-methyl-3-(4-methylphenyl)-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]butan-1-one

Systemtic Name: 3-methyl-3-(4-methylphenyl)-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-3-(p-tolyl)butan-1-one CAS Name: 3-methyl-3-(4-methylphenyl)-1-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]-1-butanone IUPAC Name: 3-methyl-3-(4-methylphenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]butan-1-one Traditional Name: 1-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]-3-methyl-3-(p-tolyl)butan-1-one Formula: C22H34N3O2+ MolecularWeight: 372.52426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C)(C)CC(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(C)(C)CC(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3

InChI

InChI=1S/C22H33N3O2/c1-18-6-8-19(9-7-18)22(2,3)16-20(26)25-14-12-23(13-15-25)17-21(27)24-10-4-5-11-24/h6-9H,4-5,10-17H2,1-3H3/p+1