butyl-[(Z)-1-ethoxy-1-oxidanyl-3-oxidanylidene-3-[(phenylmethyl)-prop-2-ynyl-amino]prop-1-en-2-yl]-methylidene-azanium

Systemtic Name: butyl-[(Z)-1-ethoxy-1-oxidanyl-3-oxidanylidene-3-[(phenylmethyl)-prop-2-ynyl-amino]prop-1-en-2-yl]-methylidene-azanium Openeye Name: [(Z)-1-[benzyl(prop-2-ynyl)carbamoyl]-2-ethoxy-2-hydroxy-vinyl]-butyl-methylene-ammonium CAS Name: butyl-[(Z)-1-ethoxy-1-hydroxy-3-oxo-3-[(phenylmethyl)-prop-2-ynylamino]prop-1-en-2-yl]-methyleneammonium IUPAC Name: [(Z)-3-[benzyl(prop-2-ynyl)amino]-1-ethoxy-1-hydroxy-3-oxoprop-1-en-2-yl]-butyl-methylideneazanium Traditional Name: [(Z)-1-[benzyl(propargyl)carbamoyl]-2-ethoxy-2-hydroxy-vinyl]-butyl-methylene-ammonium Formula: C20H27N2O3+ MolecularWeight: 343.43998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](=C)C(=C(O)OCC)C(=O)N(CC#C)CC1=CC=CC=C1

Isomeric SMILES

CCCC[N+](=C)/C(=C(/O)\OCC)/C(=O)N(CC#C)CC1=CC=CC=C1

InChI

InChI=1S/C20H26N2O3/c1-5-8-15-21(4)18(20(24)25-7-3)19(23)22(14-6-2)16-17-12-10-9-11-13-17/h2,9-13H,4-5,7-8,14-16H2,1,3H3/p+1