[2-chloranyl-6-methoxy-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]methyl-(phenylmethyl)azanium

Systemtic Name: [2-chloranyl-6-methoxy-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[2-chloro-6-methoxy-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]methyl]ammonium CAS Name: [2-chloro-6-methoxy-4-(4-methyl-1-piperazin-4-iumyl)-3-quinolin-1-iumyl]methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[2-chloro-6-methoxy-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]methyl]azanium Traditional Name: benzyl-[[2-chloro-6-methoxy-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-yl]methyl]ammonium Formula: C23H30ClN4O+3 MolecularWeight: 413.9635

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C(=[NH+]C3=C2C=C(C=C3)OC)Cl)C[NH2+]CC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C(=[NH+]C3=C2C=C(C=C3)OC)Cl)C[NH2+]CC4=CC=CC=C4

InChI

InChI=1S/C23H27ClN4O/c1-27-10-12-28(13-11-27)22-19-14-18(29-2)8-9-21(19)26-23(24)20(22)16-25-15-17-6-4-3-5-7-17/h3-9,14,25H,10-13,15-16H2,1-2H3/p+3