(3S)-N-(1,3-benzothiazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3S)-N-(1,3-benzothiazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3S)-N-(1,3-benzothiazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3S)-N-(1,3-benzothiazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3S)-N-(1,3-benzothiazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3S)-N-(1,3-benzothiazol-2-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C17H16N3OS+ MolecularWeight: 310.39344

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]CC2=CC=CC=C21)C(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1[C@H]([NH2+]CC2=CC=CC=C21)C(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H15N3OS/c21-16(14-9-11-5-1-2-6-12(11)10-18-14)20-17-19-13-7-3-4-8-15(13)22-17/h1-8,14,18H,9-10H2,(H,19,20,21)/p+1/t14-/m0/s1