N-[(2S)-3-methyl-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-1-oxidanylidene-butan-2-yl]-2-phenyl-ethanamide

Systemtic Name: N-[(2S)-3-methyl-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-1-oxidanylidene-butan-2-yl]-2-phenyl-ethanamide Openeye Name: N-[(1S)-2-methyl-1-[4-(o-tolylmethyl)piperazin-4-ium-1-carbonyl]propyl]-2-phenyl-acetamide CAS Name: N-[(2S)-3-methyl-1-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-1-oxobutan-2-yl]-2-phenylacetamide IUPAC Name: N-[(2S)-3-methyl-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-1-oxobutan-2-yl]-2-phenylacetamide Traditional Name: N-[(1S)-2-methyl-1-[4-(2-methylbenzyl)piperazin-4-ium-1-carbonyl]propyl]-2-phenyl-acetamide Formula: C25H34N3O2+ MolecularWeight: 408.55636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C(C(C)C)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)[C@H](C(C)C)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C25H33N3O2/c1-19(2)24(26-23(29)17-21-10-5-4-6-11-21)25(30)28-15-13-27(14-16-28)18-22-12-8-7-9-20(22)3/h4-12,19,24H,13-18H2,1-3H3,(H,26,29)/p+1/t24-/m0/s1