N-butyl-2-[4-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-[1-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C21H34N4O2+2 MolecularWeight: 374.52026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)C[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)C[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H32N4O2/c1-2-3-9-22-20(26)16-23-11-13-25(14-12-23)21(27)17-24-10-8-18-6-4-5-7-19(18)15-24/h4-7H,2-3,8-17H2,1H3,(H,22,26)/p+2