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

Systemtic Name: N-[[(3S)-1-[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enyl]piperidin-1-ium-3-yl]methyl]furan-2-carboxamide Openeye Name: N-[[(3S)-1-[(E)-3-(4-hydroxy-3-methoxy-phenyl)allyl]piperidin-1-ium-3-yl]methyl]furan-2-carboxamide CAS Name: N-[[(3S)-1-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]-3-piperidin-1-iumyl]methyl]-2-furancarboxamide IUPAC Name: N-[[(3S)-1-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl]piperidin-1-ium-3-yl]methyl]furan-2-carboxamide Traditional Name: N-[[(3S)-1-[(E)-3-(4-hydroxy-3-methoxy-phenyl)allyl]piperidin-1-ium-3-yl]methyl]-2-furamide Formula: C21H27N2O4+ MolecularWeight: 371.45008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC[NH+]2CCCC(C2)CNC(=O)C3=CC=CO3)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C[NH+]2CCC[C@H](C2)CNC(=O)C3=CC=CO3)O

InChI

InChI=1S/C21H26N2O4/c1-26-20-13-16(8-9-18(20)24)5-2-10-23-11-3-6-17(15-23)14-22-21(25)19-7-4-12-27-19/h2,4-5,7-9,12-13,17,24H,3,6,10-11,14-15H2,1H3,(H,22,25)/p+1/b5-2+/t17-/m0/s1