N4-[2-methyl-3-(piperidin-1-ium-1-ylmethyl)quinolin-4-yl]-N1-phenyl-benzene-1,4-diamine

Systemtic Name: N4-[2-methyl-3-(piperidin-1-ium-1-ylmethyl)quinolin-4-yl]-N1-phenyl-benzene-1,4-diamine Openeye Name: N4-[2-methyl-3-(piperidin-1-ium-1-ylmethyl)-4-quinolyl]-N1-phenyl-benzene-1,4-diamine CAS Name: N4-[2-methyl-3-(1-piperidin-1-iumylmethyl)-4-quinolinyl]-N1-phenylbenzene-1,4-diamine IUPAC Name: 4-N-[2-methyl-3-(piperidin-1-ium-1-ylmethyl)quinolin-4-yl]-1-N-phenylbenzene-1,4-diamine Traditional Name: (4-anilinophenyl)-[2-methyl-3-(piperidin-1-ium-1-ylmethyl)-4-quinolyl]amine Formula: C28H31N4+ MolecularWeight: 423.57254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1C[NH+]3CCCCC3)NC4=CC=C(C=C4)NC5=CC=CC=C5

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1C[NH+]3CCCCC3)NC4=CC=C(C=C4)NC5=CC=CC=C5

InChI

InChI=1S/C28H30N4/c1-21-26(20-32-18-8-3-9-19-32)28(25-12-6-7-13-27(25)29-21)31-24-16-14-23(15-17-24)30-22-10-4-2-5-11-22/h2,4-7,10-17,30H,3,8-9,18-20H2,1H3,(H,29,31)/p+1