(4-butoxyphenyl)-[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]methanone

Systemtic Name: (4-butoxyphenyl)-[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]methanone Openeye Name: (4-butoxyphenyl)-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]methanone CAS Name: (4-butoxyphenyl)-[4-(7-chloro-4-quinolin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (4-butoxyphenyl)-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]methanone Traditional Name: (4-butoxyphenyl)-[4-(7-chloroquinolin-1-ium-4-yl)piperazino]methanone Formula: C24H27ClN3O2+ MolecularWeight: 424.94308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C4C=CC(=CC4=[NH+]C=C3)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C4C=CC(=CC4=[NH+]C=C3)Cl

InChI

InChI=1S/C24H26ClN3O2/c1-2-3-16-30-20-7-4-18(5-8-20)24(29)28-14-12-27(13-15-28)23-10-11-26-22-17-19(25)6-9-21(22)23/h4-11,17H,2-3,12-16H2,1H3/p+1