(2R)-N-(4-ethanoylphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(4-ethanoylphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(4-acetylphenyl)-2-[4-(o-tolylmethyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(4-acetylphenyl)-2-[4-[(2-methylphenyl)methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(4-acetylphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(4-acetylphenyl)-2-[4-(2-methylbenzyl)piperazin-1-ium-1-yl]propionamide Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CC[NH+](CC2)C(C)C(=O)NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1CN2CC[NH+](CC2)[C@H](C)C(=O)NC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C23H29N3O2/c1-17-6-4-5-7-21(17)16-25-12-14-26(15-13-25)18(2)23(28)24-22-10-8-20(9-11-22)19(3)27/h4-11,18H,12-16H2,1-3H3,(H,24,28)/p+1/t18-/m1/s1