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

Systemtic Name: [(E)-3-(2-methoxyphenyl)prop-2-enyl]-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: [(E)-3-(2-methoxyphenyl)allyl]-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: [(E)-3-(2-methoxyphenyl)prop-2-enyl]-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [(E)-3-(2-methoxyphenyl)prop-2-enyl]-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: [(E)-3-(2-methoxyphenyl)allyl]-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C17H28N2O+2 MolecularWeight: 276.41702

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+](C)CC=CC2=CC=CC=C2OC

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+](C)C/C=C/C2=CC=CC=C2OC

InChI

InChI=1S/C17H26N2O/c1-18-13-10-16(11-14-18)19(2)12-6-8-15-7-4-5-9-17(15)20-3/h4-9,16H,10-14H2,1-3H3/p+2/b8-6+