(2S)-N-(4-methylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(4-methylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-2-[4-(m-tolylmethyl)piperazin-1-ium-1-yl]-N-(p-tolyl)propanamide CAS Name: (2S)-N-(4-methylphenyl)-2-[4-[(3-methylphenyl)methyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-methylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-2-[4-(3-methylbenzyl)piperazin-1-ium-1-yl]-N-(p-tolyl)propionamide Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)[NH+]2CCN(CC2)CC3=CC=CC(=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)[NH+]2CCN(CC2)CC3=CC=CC(=C3)C

InChI

InChI=1S/C22H29N3O/c1-17-7-9-21(10-8-17)23-22(26)19(3)25-13-11-24(12-14-25)16-20-6-4-5-18(2)15-20/h4-10,15,19H,11-14,16H2,1-3H3,(H,23,26)/p+1/t19-/m0/s1