[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: [4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [4-(7-chloro-4-quinolin-1-iumyl)-1-piperazinyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [4-(7-chloroquinolin-1-ium-4-yl)piperazino]-(3,4,5-trimethoxyphenyl)methanone Formula: C23H25ClN3O4+ MolecularWeight: 442.9153

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C3=C4C=CC(=CC4=[NH+]C=C3)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C3=C4C=CC(=CC4=[NH+]C=C3)Cl

InChI

InChI=1S/C23H24ClN3O4/c1-29-20-12-15(13-21(30-2)22(20)31-3)23(28)27-10-8-26(9-11-27)19-6-7-25-18-14-16(24)4-5-17(18)19/h4-7,12-14H,8-11H2,1-3H3/p+1