2-[4-[(2-methylphenyl)methyl]piperazin-1-ium-1-yl]-N-[(1S)-1-phenylethyl]ethanamide

Systemtic Name: 2-[4-[(2-methylphenyl)methyl]piperazin-1-ium-1-yl]-N-[(1S)-1-phenylethyl]ethanamide Openeye Name: 2-[4-(o-tolylmethyl)piperazin-1-ium-1-yl]-N-[(1S)-1-phenylethyl]acetamide CAS Name: 2-[4-[(2-methylphenyl)methyl]-1-piperazin-1-iumyl]-N-[(1S)-1-phenylethyl]acetamide IUPAC Name: 2-[4-[(2-methylphenyl)methyl]piperazin-1-ium-1-yl]-N-[(1S)-1-phenylethyl]acetamide Traditional Name: 2-[4-(2-methylbenzyl)piperazin-1-ium-1-yl]-N-[(1S)-1-phenylethyl]acetamide Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O/c1-18-8-6-7-11-21(18)16-24-12-14-25(15-13-24)17-22(26)23-19(2)20-9-4-3-5-10-20/h3-11,19H,12-17H2,1-2H3,(H,23,26)/p+1/t19-/m0/s1