4-(4-methylphenyl)-3-(piperidin-1-ium-1-ylmethyl)quinolin-1-ium-2-amine

Systemtic Name: 4-(4-methylphenyl)-3-(piperidin-1-ium-1-ylmethyl)quinolin-1-ium-2-amine Openeye Name: 3-(piperidin-1-ium-1-ylmethyl)-4-(p-tolyl)quinolin-1-ium-2-amine CAS Name: 4-(4-methylphenyl)-3-(1-piperidin-1-iumylmethyl)-2-quinolin-1-iumamine IUPAC Name: 4-(4-methylphenyl)-3-(piperidin-1-ium-1-ylmethyl)quinolin-1-ium-2-amine Traditional Name: [3-(piperidin-1-ium-1-ylmethyl)-4-(p-tolyl)quinolin-1-ium-2-yl]amine Formula: C22H27N3+2 MolecularWeight: 333.46988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=[NH+]C3=CC=CC=C32)N)C[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=[NH+]C3=CC=CC=C32)N)C[NH+]4CCCCC4

InChI

InChI=1S/C22H25N3/c1-16-9-11-17(12-10-16)21-18-7-3-4-8-20(18)24-22(23)19(21)15-25-13-5-2-6-14-25/h3-4,7-12H,2,5-6,13-15H2,1H3,(H2,23,24)/p+2