3,4-bis(chloranyl)-N-(1-isoquinolin-7-yl-1-methyl-piperazin-1-ium-2-yl)benzamide

Systemtic Name: 3,4-bis(chloranyl)-N-(1-isoquinolin-7-yl-1-methyl-piperazin-1-ium-2-yl)benzamide Openeye Name: 3,4-dichloro-N-[1-(7-isoquinolyl)-1-methyl-piperazin-1-ium-2-yl]benzamide CAS Name: 3,4-dichloro-N-[1-(7-isoquinolinyl)-1-methyl-2-piperazin-1-iumyl]benzamide IUPAC Name: 3,4-dichloro-N-(1-isoquinolin-7-yl-1-methylpiperazin-1-ium-2-yl)benzamide Traditional Name: 3,4-dichloro-N-[1-(7-isoquinolyl)-1-methyl-piperazin-1-ium-2-yl]benzamide Formula: C21H21Cl2N4O+ MolecularWeight: 416.32364

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1NC(=O)C2=CC(=C(C=C2)Cl)Cl)C3=CC4=C(C=C3)C=CN=C4

Isomeric SMILES

C[N+]1(CCNCC1NC(=O)C2=CC(=C(C=C2)Cl)Cl)C3=CC4=C(C=C3)C=CN=C4

InChI

InChI=1S/C21H20Cl2N4O/c1-27(17-4-2-14-6-7-24-12-16(14)10-17)9-8-25-13-20(27)26-21(28)15-3-5-18(22)19(23)11-15/h2-7,10-12,20,25H,8-9,13H2,1H3/p+1