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

Systemtic Name: (2S)-N-(3-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(m-tolyl)-2-[4-(3-thienylmethyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(3-methylphenyl)-2-[4-(3-thiophenylmethyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(3-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(m-tolyl)-2-[4-(3-thenyl)piperazin-1-ium-1-yl]propionamide Formula: C19H26N3OS+ MolecularWeight: 344.49424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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