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

Systemtic Name: N-[(4-chlorophenyl)methyl]-3-imidazol-1-yl-1-methyl-6-(morpholin-4-ylmethyl)-4-oxidanylidene-1-propyl-2H-cinnolin-1-ium-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-3-imidazol-1-yl-1-methyl-6-(morpholinomethyl)-4-oxo-1-propyl-2H-cinnolin-1-ium-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-3-(1-imidazolyl)-1-methyl-6-(4-morpholinylmethyl)-4-oxo-1-propyl-2H-cinnolin-1-ium-3-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-3-imidazol-1-yl-1-methyl-6-(morpholin-4-ylmethyl)-4-oxo-1-propyl-2H-cinnolin-1-ium-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-3-imidazol-1-yl-4-keto-1-methyl-6-(morpholinomethyl)-1-propyl-2H-cinnolin-1-ium-3-carboxamide Formula: C28H34ClN6O3+ MolecularWeight: 538.06096

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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)N5C=CN=C5)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)N5C=CN=C5)C

InChI

InChI=1S/C28H33ClN6O3/c1-3-14-35(2)25-9-6-22(19-33-12-15-38-16-13-33)17-24(25)26(36)28(32-35,34-11-10-30-20-34)27(37)31-18-21-4-7-23(29)8-5-21/h4-11,17,20,32H,3,12-16,18-19H2,1-2H3/p+1