2-(2-methylphenyl)-N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]ethanamide

Systemtic Name: 2-(2-methylphenyl)-N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]ethanamide Openeye Name: N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]-2-(o-tolyl)acetamide CAS Name: 2-(2-methylphenyl)-N-[3-[(2S)-4-methyl-2-phenyl-1-piperazine-1,4-diiumyl]propyl]acetamide IUPAC Name: 2-(2-methylphenyl)-N-[3-[(2S)-4-methyl-2-phenylpiperazine-1,4-diium-1-yl]propyl]acetamide Traditional Name: N-[3-[(2S)-4-methyl-2-phenyl-piperazine-1,4-diium-1-yl]propyl]-2-(o-tolyl)acetamide Formula: C23H33N3O+2 MolecularWeight: 367.52762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)NCCC[NH+]2CC[NH+](CC2C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=CC=C1CC(=O)NCCC[NH+]2CC[NH+](C[C@@H]2C3=CC=CC=C3)C

InChI

InChI=1S/C23H31N3O/c1-19-9-6-7-12-21(19)17-23(27)24-13-8-14-26-16-15-25(2)18-22(26)20-10-4-3-5-11-20/h3-7,9-12,22H,8,13-18H2,1-2H3,(H,24,27)/p+2/t22-/m1/s1