2-[4-(4-methoxyphenyl)piperazin-1-yl]-7-methyl-quinolin-1-ium-3-carbaldehyde

Systemtic Name: 2-[4-(4-methoxyphenyl)piperazin-1-yl]-7-methyl-quinolin-1-ium-3-carbaldehyde Openeye Name: 2-[4-(4-methoxyphenyl)piperazin-1-yl]-7-methyl-quinolin-1-ium-3-carbaldehyde CAS Name: 2-[4-(4-methoxyphenyl)-1-piperazinyl]-7-methyl-3-quinolin-1-iumcarboxaldehyde IUPAC Name: 2-[4-(4-methoxyphenyl)piperazin-1-yl]-7-methylquinolin-1-ium-3-carbaldehyde Traditional Name: 2-[4-(4-methoxyphenyl)piperazino]-7-methyl-quinolin-1-ium-3-carbaldehyde Formula: C22H24N3O2+ MolecularWeight: 362.44486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[NH+]C(=C(C=C2C=C1)C=O)N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC2=[NH+]C(=C(C=C2C=C1)C=O)N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H23N3O2/c1-16-3-4-17-14-18(15-26)22(23-21(17)13-16)25-11-9-24(10-12-25)19-5-7-20(27-2)8-6-19/h3-8,13-15H,9-12H2,1-2H3/p+1