(2,6-dimethylphenyl)-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]azanium

Systemtic Name: (2,6-dimethylphenyl)-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]azanium Openeye Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-(2,6-dimethylphenyl)ammonium CAS Name: (2,6-dimethylphenyl)-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: [2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-(2,6-dimethylphenyl)azanium Traditional Name: [2-(4-benzylpiperazino)-2-keto-ethyl]-(2,6-dimethylphenyl)ammonium Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)[NH2+]CC(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)[NH2+]CC(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O/c1-17-7-6-8-18(2)21(17)22-15-20(25)24-13-11-23(12-14-24)16-19-9-4-3-5-10-19/h3-10,22H,11-16H2,1-2H3/p+1