N-(3-cyclopentyloxy-4-methoxy-phenyl)-1-(3-phenylpropyl)piperidin-1-ium-3-carboxamide; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: N-(3-cyclopentyloxy-4-methoxy-phenyl)-1-(3-phenylpropyl)piperidin-1-ium-3-carboxamide; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: N-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-(3-phenylpropyl)piperidin-1-ium-3-carboxamide; (E)-4-hydroxy-4-oxo-but-2-enoate CAS Name: N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-phenylpropyl)-3-piperidin-1-iumcarboxamide; (E)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-phenylpropyl)piperidin-1-ium-3-carboxamide; (E)-4-hydroxy-4-oxobut-2-enoate Traditional Name: N-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-(3-phenylpropyl)piperidin-1-ium-3-carboxamide; (E)-4-hydroxy-4-keto-but-2-enoate Formula: C31H40N2O7 MolecularWeight: 552.6585

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2CCC[NH+](C2)CCCC3=CC=CC=C3)OC4CCCC4.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2CCC[NH+](C2)CCCC3=CC=CC=C3)OC4CCCC4.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C27H36N2O3.C4H4O4/c1-31-25-16-15-23(19-26(25)32-24-13-5-6-14-24)28-27(30)22-12-8-18-29(20-22)17-7-11-21-9-3-2-4-10-21;5-3(6)1-2-4(7)8/h2-4,9-10,15-16,19,22,24H,5-8,11-14,17-18,20H2,1H3,(H,28,30);1-2H,(H,5,6)(H,7,8)/b;2-1+