N-cyclopropyl-1-[1-[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-cyclopropyl-1-[1-[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-cyclopropyl-1-[1-[(E)-3-(4-hydroxy-3-methoxy-phenyl)allyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide CAS Name: N-cyclopropyl-1-[1-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-4-piperidin-1-iumyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-cyclopropyl-1-[1-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-cyclopropyl-1-[1-[(E)-3-(4-hydroxy-3-methoxy-phenyl)allyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Formula: C24H37N3O3+2 MolecularWeight: 415.56888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)NC4CC4)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)NC4CC4)O

InChI

InChI=1S/C24H35N3O3/c1-30-23-17-18(4-7-22(23)28)3-2-12-26-13-10-21(11-14-26)27-15-8-19(9-16-27)24(29)25-20-5-6-20/h2-4,7,17,19-21,28H,5-6,8-16H2,1H3,(H,25,29)/p+2/b3-2+