[2-methoxy-4-[(E)-3-oxidanylidene-3-piperazin-4-ium-1-yl-prop-1-enyl]phenyl] ethanoate

Systemtic Name: [2-methoxy-4-[(E)-3-oxidanylidene-3-piperazin-4-ium-1-yl-prop-1-enyl]phenyl] ethanoate Openeye Name: [2-methoxy-4-[(E)-3-oxo-3-piperazin-4-ium-1-yl-prop-1-enyl]phenyl] acetate CAS Name: acetic acid [2-methoxy-4-[(E)-3-oxo-3-(1-piperazin-4-iumyl)prop-1-enyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-3-oxo-3-piperazin-4-ium-1-ylprop-1-enyl]phenyl] acetate Traditional Name: acetic acid [4-[(E)-3-keto-3-piperazin-4-ium-1-yl-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C16H21N2O4+ MolecularWeight: 305.34894

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C=CC(=O)N2CC[NH2+]CC2)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)/C=C/C(=O)N2CC[NH2+]CC2)OC

InChI

InChI=1S/C16H20N2O4/c1-12(19)22-14-5-3-13(11-15(14)21-2)4-6-16(20)18-9-7-17-8-10-18/h3-6,11,17H,7-10H2,1-2H3/p+1/b6-4+