2-[3-[(E)-3-(4-azaniumylpiperidin-1-yl)-3-oxidanylidene-prop-1-enyl]phenoxy]ethyl-dimethyl-azanium

Systemtic Name: 2-[3-[(E)-3-(4-azaniumylpiperidin-1-yl)-3-oxidanylidene-prop-1-enyl]phenoxy]ethyl-dimethyl-azanium Openeye Name: 2-[3-[(E)-3-(4-azaniumyl-1-piperidyl)-3-oxo-prop-1-enyl]phenoxy]ethyl-dimethyl-ammonium CAS Name: 2-[3-[(E)-3-(4-ammonio-1-piperidinyl)-3-oxoprop-1-enyl]phenoxy]ethyl-dimethylammonium IUPAC Name: 2-[3-[(E)-3-(4-azaniumylpiperidin-1-yl)-3-oxoprop-1-enyl]phenoxy]ethyl-dimethylazanium Traditional Name: 2-[3-[(E)-3-(4-ammoniopiperidino)-3-keto-prop-1-enyl]phenoxy]ethyl-dimethyl-ammonium Formula: C18H29N3O2+2 MolecularWeight: 319.44176

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=CC=CC(=C1)C=CC(=O)N2CCC(CC2)[NH3+]

Isomeric SMILES

C[NH+](C)CCOC1=CC=CC(=C1)/C=C/C(=O)N2CCC(CC2)[NH3+]

InChI

InChI=1S/C18H27N3O2/c1-20(2)12-13-23-17-5-3-4-15(14-17)6-7-18(22)21-10-8-16(19)9-11-21/h3-7,14,16H,8-13,19H2,1-2H3/p+2/b7-6+