N-(1,3-benzodioxol-5-yl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Formula: C24H23N2O3+ MolecularWeight: 387.45102

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H22N2O3/c27-24(25-21-9-10-22-23(13-21)29-16-28-22)19-7-5-17(6-8-19)14-26-12-11-18-3-1-2-4-20(18)15-26/h1-10,13H,11-12,14-16H2,(H,25,27)/p+1