N-[(4-chlorophenyl)methyl]-3-(dimethylamino)-1-methyl-6-(morpholin-4-ylmethyl)-4-oxidanylidene-1-propyl-2H-cinnolin-1-ium-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-3-(dimethylamino)-1-methyl-6-(morpholin-4-ylmethyl)-4-oxidanylidene-1-propyl-2H-cinnolin-1-ium-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-3-(dimethylamino)-1-methyl-6-(morpholinomethyl)-4-oxo-1-propyl-2H-cinnolin-1-ium-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-3-(dimethylamino)-1-methyl-6-(4-morpholinylmethyl)-4-oxo-1-propyl-2H-cinnolin-1-ium-3-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-3-(dimethylamino)-1-methyl-6-(morpholin-4-ylmethyl)-4-oxo-1-propyl-2H-cinnolin-1-ium-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-3-(dimethylamino)-4-keto-1-methyl-6-(morpholinomethyl)-1-propyl-2H-cinnolin-1-ium-3-carboxamide Formula: C27H37ClN5O3+ MolecularWeight: 515.06738

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(C2=C(C=C(C=C2)CN3CCOCC3)C(=O)C(N1)(C(=O)NCC4=CC=C(C=C4)Cl)N(C)C)C

Isomeric SMILES

CCC[N+]1(C2=C(C=C(C=C2)CN3CCOCC3)C(=O)C(N1)(C(=O)NCC4=CC=C(C=C4)Cl)N(C)C)C

InChI

InChI=1S/C27H36ClN5O3/c1-5-14-33(4)24-11-8-21(19-32-12-15-36-16-13-32)17-23(24)25(34)27(30-33,31(2)3)26(35)29-18-20-6-9-22(28)10-7-20/h6-11,17,30H,5,12-16,18-19H2,1-4H3/p+1