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

Systemtic Name: 2-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]amino]ethyl-diisopropyl-ammonium Formula: C18H28BrN2O2+ MolecularWeight: 384.33112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=O)C=CC1=C(C=CC(=C1)Br)OC)C(C)C

Isomeric SMILES

CC(C)[NH+](CCNC(=O)/C=C/C1=C(C=CC(=C1)Br)OC)C(C)C

InChI

InChI=1S/C18H27BrN2O2/c1-13(2)21(14(3)4)11-10-20-18(22)9-6-15-12-16(19)7-8-17(15)23-5/h6-9,12-14H,10-11H2,1-5H3,(H,20,22)/p+1/b9-6+