2-azanyl-1-[5-(2,3-dimethylphenyl)carbonyl-3-methyl-1-(phenylmethyl)-1-piperidin-4-yl-piperazin-1-ium-2-yl]ethanone

Systemtic Name: 2-azanyl-1-[5-(2,3-dimethylphenyl)carbonyl-3-methyl-1-(phenylmethyl)-1-piperidin-4-yl-piperazin-1-ium-2-yl]ethanone Openeye Name: 2-amino-1-[1-benzyl-5-(2,3-dimethylbenzoyl)-3-methyl-1-(4-piperidyl)piperazin-1-ium-2-yl]ethanone CAS Name: 2-amino-1-[5-[(2,3-dimethylphenyl)-oxomethyl]-3-methyl-1-(phenylmethyl)-1-(4-piperidinyl)-2-piperazin-1-iumyl]ethanone IUPAC Name: 2-amino-1-[1-benzyl-5-(2,3-dimethylbenzoyl)-3-methyl-1-piperidin-4-ylpiperazin-1-ium-2-yl]ethanone Traditional Name: 2-amino-1-[1-benzyl-5-(2,3-dimethylbenzoyl)-3-methyl-1-(4-piperidyl)piperazin-1-ium-2-yl]ethanone Formula: C28H39N4O2+ MolecularWeight: 463.63486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C([N+](CC(N1)C(=O)C2=C(C(=CC=C2)C)C)(CC3=CC=CC=C3)C4CCNCC4)C(=O)CN

Isomeric SMILES

CC1C([N+](CC(N1)C(=O)C2=C(C(=CC=C2)C)C)(CC3=CC=CC=C3)C4CCNCC4)C(=O)CN

InChI

InChI=1S/C28H39N4O2/c1-19-8-7-11-24(20(19)2)28(34)25-18-32(23-12-14-30-15-13-23,17-22-9-5-4-6-10-22)27(21(3)31-25)26(33)16-29/h4-11,21,23,25,27,30-31H,12-18,29H2,1-3H3/q+1