2-(4-methoxyphenyl)ethyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: 2-(4-methoxyphenyl)ethyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[2-(4-methoxyphenyl)ethyl]ammonium CAS Name: 2-(4-methoxyphenyl)ethyl-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[2-(4-methoxyphenyl)ethyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[2-(4-methoxyphenyl)ethyl]ammonium Formula: C21H30N2O+2 MolecularWeight: 326.4757

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CC[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H28N2O/c1-24-21-9-7-18(8-10-21)11-14-22-20-12-15-23(16-13-20)17-19-5-3-2-4-6-19/h2-10,20,22H,11-17H2,1H3/p+2