7,8-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbaldehyde

Systemtic Name: 7,8-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbaldehyde Openeye Name: 7,8-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbaldehyde CAS Name: 7,8-dimethyl-2-(4-methyl-1-piperazin-4-iumyl)-3-quinolin-1-iumcarboxaldehyde IUPAC Name: 7,8-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbaldehyde Traditional Name: 7,8-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbaldehyde Formula: C17H23N3O+2 MolecularWeight: 285.38402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=[NH+]C(=C(C=C2C=C1)C=O)N3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=C(C2=[NH+]C(=C(C=C2C=C1)C=O)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C17H21N3O/c1-12-4-5-14-10-15(11-21)17(18-16(14)13(12)2)20-8-6-19(3)7-9-20/h4-5,10-11H,6-9H2,1-3H3/p+2