(3S)-N-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3S)-N-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3S)-N-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3S)-N-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3S)-N-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3S)-N-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C17H17N2O3+ MolecularWeight: 297.32848

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]CC2=CC=CC=C21)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1[C@H]([NH2+]CC2=CC=CC=C21)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H16N2O3/c20-17(14-7-11-3-1-2-4-12(11)9-18-14)19-13-5-6-15-16(8-13)22-10-21-15/h1-6,8,14,18H,7,9-10H2,(H,19,20)/p+1/t14-/m0/s1