dimethyl-[3-[4-methyl-1-(4-phenylpiperazin-1-yl)cyclohexyl]phenyl]-(2-oxidanylidenebutanoyl)azanium

Systemtic Name: dimethyl-[3-[4-methyl-1-(4-phenylpiperazin-1-yl)cyclohexyl]phenyl]-(2-oxidanylidenebutanoyl)azanium Openeye Name: dimethyl-[3-[4-methyl-1-(4-phenylpiperazin-1-yl)cyclohexyl]phenyl]-(2-oxobutanoyl)ammonium CAS Name: 1,2-dioxobutyl-dimethyl-[3-[4-methyl-1-(4-phenyl-1-piperazinyl)cyclohexyl]phenyl]ammonium IUPAC Name: dimethyl-[3-[4-methyl-1-(4-phenylpiperazin-1-yl)cyclohexyl]phenyl]-(2-oxobutanoyl)azanium Traditional Name: 2-ketobutanoyl-dimethyl-[3-[4-methyl-1-(4-phenylpiperazino)cyclohexyl]phenyl]ammonium Formula: C29H40N3O2+ MolecularWeight: 462.6468

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(=O)[N+](C)(C)C1=CC=CC(=C1)C2(CCC(CC2)C)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)C(=O)[N+](C)(C)C1=CC=CC(=C1)C2(CCC(CC2)C)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C29H40N3O2/c1-5-27(33)28(34)32(3,4)26-13-9-10-24(22-26)29(16-14-23(2)15-17-29)31-20-18-30(19-21-31)25-11-7-6-8-12-25/h6-13,22-23H,5,14-21H2,1-4H3/q+1