[(E)-3-(2-methoxyphenyl)prop-2-enyl]-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethyl-azanium

Systemtic Name: [(E)-3-(2-methoxyphenyl)prop-2-enyl]-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethyl-azanium Openeye Name: [(E)-3-(2-methoxyphenyl)allyl]-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethyl-ammonium CAS Name: [(E)-3-(2-methoxyphenyl)prop-2-enyl]-[(1-methyl-4-piperidin-1-iumyl)methyl]-phenethylammonium IUPAC Name: [(E)-3-(2-methoxyphenyl)prop-2-enyl]-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethylazanium Traditional Name: [(E)-3-(2-methoxyphenyl)allyl]-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethyl-ammonium Formula: C25H36N2O+2 MolecularWeight: 380.56614

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)C[NH+](CCC2=CC=CC=C2)CC=CC3=CC=CC=C3OC

Isomeric SMILES

C[NH+]1CCC(CC1)C[NH+](CCC2=CC=CC=C2)C/C=C/C3=CC=CC=C3OC

InChI

InChI=1S/C25H34N2O/c1-26-18-14-23(15-19-26)21-27(20-16-22-9-4-3-5-10-22)17-8-12-24-11-6-7-13-25(24)28-2/h3-13,23H,14-21H2,1-2H3/p+2/b12-8+