N-(7-methoxy-4-oxidanylidene-1H-quinolin-3-yl)-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide

Systemtic Name: N-(7-methoxy-4-oxidanylidene-1H-quinolin-3-yl)-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide Openeye Name: N-(7-methoxy-4-oxo-1H-quinolin-3-yl)-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide CAS Name: N-(7-methoxy-4-oxo-1H-quinolin-3-yl)-4-(2-pyridin-1-iumyl)-1-piperazinecarboxamide IUPAC Name: N-(7-methoxy-4-oxo-1H-quinolin-3-yl)-4-pyridin-1-ium-2-ylpiperazine-1-carboxamide Traditional Name: N-(4-keto-7-methoxy-1H-quinolin-3-yl)-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide Formula: C20H22N5O3+ MolecularWeight: 380.42038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)C(=CN2)NC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)C(=CN2)NC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H21N5O3/c1-28-14-5-6-15-16(12-14)22-13-17(19(15)26)23-20(27)25-10-8-24(9-11-25)18-4-2-3-7-21-18/h2-7,12-13H,8-11H2,1H3,(H,22,26)(H,23,27)/p+1