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

Systemtic Name: (3-ethoxy-4-methoxy-phenyl)methyl-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]-phenethyl-azanium Openeye Name: (3-ethoxy-4-methoxy-phenyl)methyl-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]-phenethyl-ammonium CAS Name: (3-ethoxy-4-methoxyphenyl)methyl-[[(3S)-1-methyl-3-piperidin-1-iumyl]methyl]-phenethylammonium IUPAC Name: (3-ethoxy-4-methoxyphenyl)methyl-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]-phenethylazanium Traditional Name: (3-ethoxy-4-methoxy-benzyl)-[[(3S)-1-methylpiperidin-1-ium-3-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)CC3CCC[NH+](C3)C)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+](CCC2=CC=CC=C2)C[C@H]3CCC[NH+](C3)C)OC

InChI

InChI=1S/C25H36N2O2/c1-4-29-25-17-22(12-13-24(25)28-3)19-27(16-14-21-9-6-5-7-10-21)20-23-11-8-15-26(2)18-23/h5-7,9-10,12-13,17,23H,4,8,11,14-16,18-20H2,1-3H3/p+2/t23-/m0/s1