(2S)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidin-1-ium-2-carboxamide Formula: C19H20N3OS+ MolecularWeight: 338.4466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4CCC[NH2+]4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)[C@@H]4CCC[NH2+]4

InChI

InChI=1S/C19H19N3OS/c1-12-4-9-15-17(11-12)24-19(22-15)13-5-7-14(8-6-13)21-18(23)16-3-2-10-20-16/h4-9,11,16,20H,2-3,10H2,1H3,(H,21,23)/p+1/t16-/m0/s1