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

Systemtic Name: [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-oxoethyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-methylazanium Traditional Name: benzyl-[2-[4-(2,3-dimethylphenyl)piperazino]-2-keto-ethyl]-methyl-ammonium Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O/c1-18-8-7-11-21(19(18)2)24-12-14-25(15-13-24)22(26)17-23(3)16-20-9-5-4-6-10-20/h4-11H,12-17H2,1-3H3/p+1