(3-ethoxy-4-methoxy-phenyl)methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethyl-azanium

Systemtic Name: (3-ethoxy-4-methoxy-phenyl)methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethyl-azanium Openeye Name: (3-ethoxy-4-methoxy-phenyl)methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethyl-ammonium CAS Name: (3-ethoxy-4-methoxyphenyl)methyl-[(1-methyl-4-piperidin-1-iumyl)methyl]-phenethylammonium IUPAC Name: (3-ethoxy-4-methoxyphenyl)methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethylazanium Traditional Name: (3-ethoxy-4-methoxy-benzyl)-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethyl-ammonium Formula: C25H38N2O2+2 MolecularWeight: 398.58142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+](CCC2=CC=CC=C2)CC3CC[NH+](CC3)C)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+](CCC2=CC=CC=C2)CC3CC[NH+](CC3)C)OC

InChI

InChI=1S/C25H36N2O2/c1-4-29-25-18-23(10-11-24(25)28-3)20-27(17-14-21-8-6-5-7-9-21)19-22-12-15-26(2)16-13-22/h5-11,18,22H,4,12-17,19-20H2,1-3H3/p+2