(2S)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)propanamide

Systemtic Name: (2S)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)propanamide Openeye Name: (2S)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]-N-(2-thienylmethyl)propanamide CAS Name: (2S)-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-N-(thiophen-2-ylmethyl)propanamide IUPAC Name: (2S)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)propanamide Traditional Name: (2S)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]-N-(2-thenyl)propionamide Formula: C19H26N3OS+ MolecularWeight: 344.49424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)C(C)C(=O)NCC3=CC=CS3

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)[C@@H](C)C(=O)NCC3=CC=CS3

InChI

InChI=1S/C19H25N3OS/c1-15-6-3-4-8-18(15)22-11-9-21(10-12-22)16(2)19(23)20-14-17-7-5-13-24-17/h3-8,13,16H,9-12,14H2,1-2H3,(H,20,23)/p+1/t16-/m0/s1