[4-[1-[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[1-[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[1-[(E)-3-(4-hydroxy-3-methoxy-phenyl)allyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[1-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[1-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[1-[(E)-3-(4-hydroxy-3-methoxy-phenyl)allyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidino-methanone Formula: C26H33N2O4+ MolecularWeight: 437.55122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC[NH+]2CCC(CC2)OC3=CC=C(C=C3)C(=O)N4CCCC4)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C[NH+]2CCC(CC2)OC3=CC=C(C=C3)C(=O)N4CCCC4)O

InChI

InChI=1S/C26H32N2O4/c1-31-25-19-20(6-11-24(25)29)5-4-14-27-17-12-23(13-18-27)32-22-9-7-21(8-10-22)26(30)28-15-2-3-16-28/h4-11,19,23,29H,2-3,12-18H2,1H3/p+1/b5-4+