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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Traditional Name: N-piperonyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Formula: C25H25N2O3+ MolecularWeight: 401.4776

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H24N2O3/c28-25(26-14-19-7-10-23-24(13-19)30-17-29-23)21-8-5-18(6-9-21)15-27-12-11-20-3-1-2-4-22(20)16-27/h1-10,13H,11-12,14-17H2,(H,26,28)/p+1