N-[3-(4-chlorophenyl)-6-methyl-heptyl]-1-methyl-pyridin-1-ium-4-amine

Systemtic Name: N-[3-(4-chlorophenyl)-6-methyl-heptyl]-1-methyl-pyridin-1-ium-4-amine Openeye Name: N-[3-(4-chlorophenyl)-6-methyl-heptyl]-1-methyl-pyridin-1-ium-4-amine CAS Name: N-[3-(4-chlorophenyl)-6-methylheptyl]-1-methyl-4-pyridin-1-iumamine IUPAC Name: N-[3-(4-chlorophenyl)-6-methylheptyl]-1-methylpyridin-1-ium-4-amine Traditional Name: [3-(4-chlorophenyl)-6-methyl-heptyl]-(1-methylpyridin-1-ium-4-yl)amine Formula: C20H28ClN2+ MolecularWeight: 331.90272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CCNC1=CC=[N+](C=C1)C)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)CCC(CCNC1=CC=[N+](C=C1)C)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H27ClN2/c1-16(2)4-5-18(17-6-8-19(21)9-7-17)10-13-22-20-11-14-23(3)15-12-20/h6-9,11-12,14-16,18H,4-5,10,13H2,1-3H3/p+1