[1-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-ethyl-(phenylmethyl)azanium

Systemtic Name: [1-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-ethyl-[1-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]piperidin-1-ium-4-yl]ammonium CAS Name: ethyl-[1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-ethyl-[1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]azanium Traditional Name: benzyl-ethyl-[1-(4-hydroxy-3,5-dimethoxy-benzyl)piperidin-1-ium-4-yl]ammonium Formula: C23H34N2O3+2 MolecularWeight: 386.52766

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)C2CC[NH+](CC2)CC3=CC(=C(C(=C3)OC)O)OC

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)C2CC[NH+](CC2)CC3=CC(=C(C(=C3)OC)O)OC

InChI

InChI=1S/C23H32N2O3/c1-4-25(17-18-8-6-5-7-9-18)20-10-12-24(13-11-20)16-19-14-21(27-2)23(26)22(15-19)28-3/h5-9,14-15,20,26H,4,10-13,16-17H2,1-3H3/p+2