N'-methyl-N-(5-methylpyridin-1-ium-2-yl)-N'-phenyl-propane-1,3-diamine

Systemtic Name: N'-methyl-N-(5-methylpyridin-1-ium-2-yl)-N'-phenyl-propane-1,3-diamine Openeye Name: N'-methyl-N-(5-methylpyridin-1-ium-2-yl)-N'-phenyl-propane-1,3-diamine CAS Name: N'-methyl-N-(5-methyl-2-pyridin-1-iumyl)-N'-phenylpropane-1,3-diamine IUPAC Name: N'-methyl-N-(5-methylpyridin-1-ium-2-yl)-N'-phenylpropane-1,3-diamine Traditional Name: methyl-[3-[(5-methylpyridin-1-ium-2-yl)amino]propyl]-phenyl-amine Formula: C16H22N3+ MolecularWeight: 256.36598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C(C=C1)NCCCN(C)C2=CC=CC=C2

Isomeric SMILES

CC1=C[NH+]=C(C=C1)NCCCN(C)C2=CC=CC=C2

InChI

InChI=1S/C16H21N3/c1-14-9-10-16(18-13-14)17-11-6-12-19(2)15-7-4-3-5-8-15/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,17,18)/p+1