2-(4-methylpiperazin-4-ium-1-yl)-6-propan-2-yl-quinolin-1-ium-3-carbonitrile

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-propan-2-yl-quinolin-1-ium-3-carbonitrile Openeye Name: 6-isopropyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbonitrile CAS Name: 2-(4-methyl-1-piperazin-4-iumyl)-6-propan-2-yl-3-quinolin-1-iumcarbonitrile IUPAC Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-propan-2-ylquinolin-1-ium-3-carbonitrile Traditional Name: 6-isopropyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbonitrile Formula: C18H24N4+2 MolecularWeight: 296.40996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)N3CC[NH+](CC3)C

InChI

InChI=1S/C18H22N4/c1-13(2)14-4-5-17-15(10-14)11-16(12-19)18(20-17)22-8-6-21(3)7-9-22/h4-5,10-11,13H,6-9H2,1-3H3/p+2