[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-(naphthalen-2-ylmethyl)azanium

Systemtic Name: [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-(naphthalen-2-ylmethyl)azanium Openeye Name: [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl]-methyl-(2-naphthylmethyl)ammonium CAS Name: [2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-oxoethyl]-methyl-(2-naphthalenylmethyl)ammonium IUPAC Name: [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-methyl-(naphthalen-2-ylmethyl)azanium Traditional Name: [2-[4-(2,3-dimethylphenyl)piperazino]-2-keto-ethyl]-methyl-(2-naphthylmethyl)ammonium Formula: C26H32N3O+ MolecularWeight: 402.55178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C[NH+](C)CC3=CC4=CC=CC=C4C=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C[NH+](C)CC3=CC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C26H31N3O/c1-20-7-6-10-25(21(20)2)28-13-15-29(16-14-28)26(30)19-27(3)18-22-11-12-23-8-4-5-9-24(23)17-22/h4-12,17H,13-16,18-19H2,1-3H3/p+1