2-[4-(1-chloranylisoquinolin-2-ium-3-yl)piperazin-1-ium-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-(1-chloranylisoquinolin-2-ium-3-yl)piperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-(1-chloroisoquinolin-2-ium-3-yl)piperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-(1-chloro-3-isoquinolin-2-iumyl)-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-(1-chloroisoquinolin-2-ium-3-yl)piperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-(1-chloroisoquinolin-2-ium-3-yl)piperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C18H25ClN4O+2 MolecularWeight: 348.8703

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)C2=CC3=CC=CC=C3C(=[NH+]2)Cl

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)C2=CC3=CC=CC=C3C(=[NH+]2)Cl

InChI

InChI=1S/C18H23ClN4O/c1-2-7-20-17(24)13-22-8-10-23(11-9-22)16-12-14-5-3-4-6-15(14)18(19)21-16/h3-6,12H,2,7-11,13H2,1H3,(H,20,24)/p+2