2-(4-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: 2-(4-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: 2-(4-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: 2-(4-chlorophenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-1-oxo-4-isoquinolinecarboxamide IUPAC Name: 2-(4-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: 2-(4-chlorophenyl)-1-keto-N-(2-morpholin-4-ium-4-ylethyl)isoquinoline-4-carboxamide Formula: C22H23ClN3O3+ MolecularWeight: 412.88932

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H22ClN3O3/c23-16-5-7-17(8-6-16)26-15-20(18-3-1-2-4-19(18)22(26)28)21(27)24-9-10-25-11-13-29-14-12-25/h1-8,15H,9-14H2,(H,24,27)/p+1