[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]-(2-methoxy-5-nitro-phenyl)methanone

Systemtic Name: [4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]-(2-methoxy-5-nitro-phenyl)methanone Openeye Name: [4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]-(2-methoxy-5-nitro-phenyl)methanone CAS Name: [4-(7-chloro-4-quinolin-1-iumyl)-1-piperazinyl]-(2-methoxy-5-nitrophenyl)methanone IUPAC Name: [4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]-(2-methoxy-5-nitrophenyl)methanone Traditional Name: [4-(7-chloroquinolin-1-ium-4-yl)piperazino]-(2-methoxy-5-nitro-phenyl)methanone Formula: C21H20ClN4O4+ MolecularWeight: 427.8609

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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