4-(1H-indol-3-yl)-1-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(1H-indol-3-yl)-1-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]butan-1-one Openeye Name: 4-(1H-indol-3-yl)-1-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]butan-1-one CAS Name: 4-(1H-indol-3-yl)-1-[4-(4-methyl-2-quinolin-1-iumyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(1H-indol-3-yl)-1-[4-(4-methylquinolin-1-ium-2-yl)piperazin-1-yl]butan-1-one Traditional Name: 4-(1H-indol-3-yl)-1-[4-(4-methylquinolin-1-ium-2-yl)piperazino]butan-1-one Formula: C26H29N4O+ MolecularWeight: 413.53466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=CC=CC=C12)N3CCN(CC3)C(=O)CCCC4=CNC5=CC=CC=C54

Isomeric SMILES

CC1=CC(=[NH+]C2=CC=CC=C12)N3CCN(CC3)C(=O)CCCC4=CNC5=CC=CC=C54

InChI

InChI=1S/C26H28N4O/c1-19-17-25(28-24-11-5-2-8-21(19)24)29-13-15-30(16-14-29)26(31)12-6-7-20-18-27-23-10-4-3-9-22(20)23/h2-5,8-11,17-18,27H,6-7,12-16H2,1H3/p+1