[(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-phenyl-propan-2-yl]azanium

Systemtic Name: [(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]ammonium CAS Name: [(2S)-1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-3-phenylpropan-2-yl]ammonium IUPAC Name: [(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-[4-(2,3-dimethylphenyl)piperazino]ethyl]ammonium Formula: C21H30N3+ MolecularWeight: 324.483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)CC(CC3=CC=CC=C3)[NH3+])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C[C@H](CC3=CC=CC=C3)[NH3+])C

InChI

InChI=1S/C21H29N3/c1-17-7-6-10-21(18(17)2)24-13-11-23(12-14-24)16-20(22)15-19-8-4-3-5-9-19/h3-10,20H,11-16,22H2,1-2H3/p+1/t20-/m0/s1