[1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-(pyridin-3-ylmethyl)azanium

Systemtic Name: [1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-(pyridin-3-ylmethyl)azanium Openeye Name: [1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-(3-pyridylmethyl)ammonium CAS Name: [1-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-iumyl]methyl-methyl-(3-pyridinylmethyl)ammonium IUPAC Name: [1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-(pyridin-3-ylmethyl)azanium Traditional Name: [1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-(3-pyridylmethyl)ammonium Formula: C21H30ClN3+2 MolecularWeight: 359.936

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1CC[NH+](CC1)CCC2=CC=C(C=C2)Cl)CC3=CN=CC=C3

Isomeric SMILES

C[NH+](CC1CC[NH+](CC1)CCC2=CC=C(C=C2)Cl)CC3=CN=CC=C3

InChI

InChI=1S/C21H28ClN3/c1-24(17-20-3-2-11-23-15-20)16-19-9-13-25(14-10-19)12-8-18-4-6-21(22)7-5-18/h2-7,11,15,19H,8-10,12-14,16-17H2,1H3/p+2