(2S)-N-(2-methoxy-5-methyl-phenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(2-methoxy-5-methylphenyl)-2-[4-(2-thiazolyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2-methoxy-5-methylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C18H25N4O2S+ MolecularWeight: 361.4817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C)[NH+]2CCN(CC2)C3=NC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C)[NH+]2CCN(CC2)C3=NC=CS3

InChI

InChI=1S/C18H24N4O2S/c1-13-4-5-16(24-3)15(12-13)20-17(23)14(2)21-7-9-22(10-8-21)18-19-6-11-25-18/h4-6,11-12,14H,7-10H2,1-3H3,(H,20,23)/p+1/t14-/m0/s1