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

Systemtic Name: (2S)-N-(2-methylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(o-tolyl)-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(2-methylphenyl)-2-[4-(2-thiazolyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2-methylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(o-tolyl)-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C17H23N4OS+ MolecularWeight: 331.45572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)[NH+]2CCN(CC2)C3=NC=CS3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)[C@H](C)[NH+]2CCN(CC2)C3=NC=CS3

InChI

InChI=1S/C17H22N4OS/c1-13-5-3-4-6-15(13)19-16(22)14(2)20-8-10-21(11-9-20)17-18-7-12-23-17/h3-7,12,14H,8-11H2,1-2H3,(H,19,22)/p+1/t14-/m0/s1