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

Systemtic Name: N-[(4-chlorophenyl)methyl]-1-methyl-6-(morpholin-4-ylmethyl)-3-oxidanyl-4-oxidanylidene-1-propyl-2H-cinnolin-1-ium-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-3-hydroxy-1-methyl-6-(morpholinomethyl)-4-oxo-1-propyl-2H-cinnolin-1-ium-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-3-hydroxy-1-methyl-6-(4-morpholinylmethyl)-4-oxo-1-propyl-2H-cinnolin-1-ium-3-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-4-oxo-1-propyl-2H-cinnolin-1-ium-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-3-hydroxy-4-keto-1-methyl-6-(morpholinomethyl)-1-propyl-2H-cinnolin-1-ium-3-carboxamide Formula: C25H32ClN4O4+ MolecularWeight: 487.99898

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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)O)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)O)C

InChI

InChI=1S/C25H31ClN4O4/c1-3-12-30(2)22-9-6-19(17-29-10-13-34-14-11-29)15-21(22)23(31)25(33,28-30)24(32)27-16-18-4-7-20(26)8-5-18/h4-9,15,28,33H,3,10-14,16-17H2,1-2H3/p+1