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

Systemtic Name: N-[(1R)-3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-1-phenyl-propyl]ethanamide Openeye Name: N-[(1R)-3-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]-3-oxo-1-phenyl-propyl]acetamide CAS Name: N-[(1R)-3-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-3-oxo-1-phenylpropyl]acetamide IUPAC Name: N-[(1R)-3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-oxo-1-phenylpropyl]acetamide Traditional Name: N-[(1R)-3-keto-3-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]-1-phenyl-propyl]acetamide Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2/c1-18-8-6-7-11-21(18)17-25-12-14-26(15-13-25)23(28)16-22(24-19(2)27)20-9-4-3-5-10-20/h3-11,22H,12-17H2,1-2H3,(H,24,27)/p+1/t22-/m1/s1