2-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[(E)-3-(3,4-diethoxyphenyl)-1-oxoprop-2-enyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[(E)-3-(3,4-diethoxyphenyl)acryloyl]amino]ethyl-diisopropyl-ammonium Formula: C21H35N2O3+ MolecularWeight: 363.5142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=CC(=O)NCC[NH+](C(C)C)C(C)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C/C(=O)NCC[NH+](C(C)C)C(C)C)OCC

InChI

InChI=1S/C21H34N2O3/c1-7-25-19-11-9-18(15-20(19)26-8-2)10-12-21(24)22-13-14-23(16(3)4)17(5)6/h9-12,15-17H,7-8,13-14H2,1-6H3,(H,22,24)/p+1/b12-10+