[2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate

Systemtic Name: [2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate Openeye Name: [2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxo-ethyl] (E)-3-(6-methoxy-2-naphthyl)prop-2-enoate CAS Name: (E)-3-(6-methoxy-2-naphthalenyl)-2-propenoic acid [2-[[1-(4-morpholin-4-iumyl)cyclohexyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]-2-oxoethyl] (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate Traditional Name: (E)-3-(6-methoxy-2-naphthyl)acrylic acid [2-keto-2-[(1-morpholin-4-ium-4-ylcyclohexyl)methylamino]ethyl] ester Formula: C27H35N2O5+ MolecularWeight: 467.5772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C=C2)C=CC(=O)OCC(=O)NCC3(CCCCC3)[NH+]4CCOCC4

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)/C=C/C(=O)OCC(=O)NCC3(CCCCC3)[NH+]4CCOCC4

InChI

InChI=1S/C27H34N2O5/c1-32-24-9-8-22-17-21(5-7-23(22)18-24)6-10-26(31)34-19-25(30)28-20-27(11-3-2-4-12-27)29-13-15-33-16-14-29/h5-10,17-18H,2-4,11-16,19-20H2,1H3,(H,28,30)/p+1/b10-6+