[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]-(4-methoxy-3-nitro-phenyl)methanone

Systemtic Name: [4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]-(4-methoxy-3-nitro-phenyl)methanone Openeye Name: [4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]-(4-methoxy-3-nitro-phenyl)methanone CAS Name: [4-(7-chloro-4-quinolin-1-iumyl)-1-piperazinyl]-(4-methoxy-3-nitrophenyl)methanone IUPAC Name: [4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]-(4-methoxy-3-nitrophenyl)methanone Traditional Name: [4-(7-chloroquinolin-1-ium-4-yl)piperazino]-(4-methoxy-3-nitro-phenyl)methanone Formula: C21H20ClN4O4+ MolecularWeight: 427.8609

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=C4C=CC(=CC4=[NH+]C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=C4C=CC(=CC4=[NH+]C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H19ClN4O4/c1-30-20-5-2-14(12-19(20)26(28)29)21(27)25-10-8-24(9-11-25)18-6-7-23-17-13-15(22)3-4-16(17)18/h2-7,12-13H,8-11H2,1H3/p+1