2-[[(E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)prop-2-enoyl]amino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[(E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)prop-2-enoyl]amino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[(E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)prop-2-enoyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-1-oxoprop-2-enyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[(E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)acryloyl]amino]ethyl-diisopropyl-ammonium Formula: C20H32ClN2O3+ MolecularWeight: 383.93268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C(=O)NCC[NH+](C(C)C)C(C)C)Cl)OC

InChI

InChI=1S/C20H31ClN2O3/c1-7-26-18-13-16(12-17(21)20(18)25-6)8-9-19(24)22-10-11-23(14(2)3)15(4)5/h8-9,12-15H,7,10-11H2,1-6H3,(H,22,24)/p+1/b9-8+