N-[1-(5-chloranyl-8-oxidanyl-quinolin-1-ium-7-yl)-3-phenyl-prop-2-enyl]-3-methoxy-benzamide

Systemtic Name: N-[1-(5-chloranyl-8-oxidanyl-quinolin-1-ium-7-yl)-3-phenyl-prop-2-enyl]-3-methoxy-benzamide Openeye Name: N-[1-(5-chloro-8-hydroxy-quinolin-1-ium-7-yl)-3-phenyl-allyl]-3-methoxy-benzamide CAS Name: N-[1-(5-chloro-8-hydroxy-7-quinolin-1-iumyl)-3-phenylprop-2-enyl]-3-methoxybenzamide IUPAC Name: N-[1-(5-chloro-8-hydroxyquinolin-1-ium-7-yl)-3-phenylprop-2-enyl]-3-methoxybenzamide Traditional Name: N-[1-(5-chloro-8-hydroxy-quinolin-1-ium-7-yl)-3-phenyl-allyl]-3-methoxy-benzamide Formula: C26H22ClN2O3+ MolecularWeight: 445.91748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC(C=CC2=CC=CC=C2)C3=CC(=C4C=CC=[NH+]C4=C3O)Cl

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC(C=CC2=CC=CC=C2)C3=CC(=C4C=CC=[NH+]C4=C3O)Cl

InChI

InChI=1S/C26H21ClN2O3/c1-32-19-10-5-9-18(15-19)26(31)29-23(13-12-17-7-3-2-4-8-17)21-16-22(27)20-11-6-14-28-24(20)25(21)30/h2-16,23,30H,1H3,(H,29,31)/p+1