(4-methylphenyl)-[(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]azanium

Systemtic Name: (4-methylphenyl)-[(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]azanium Openeye Name: [(1S)-2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]-(p-tolyl)ammonium CAS Name: (4-methylphenyl)-[(2S)-1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-(4-methylphenyl)azanium Traditional Name: [(1S)-2-(4-benzylpiperazino)-2-keto-1-methyl-ethyl]-(p-tolyl)ammonium Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O/c1-17-8-10-20(11-9-17)22-18(2)21(25)24-14-12-23(13-15-24)16-19-6-4-3-5-7-19/h3-11,18,22H,12-16H2,1-2H3/p+1/t18-/m0/s1