N-[[(3S)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide

Systemtic Name: N-[[(3S)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Openeye Name: N-[[(3S)-1-[(E)-3-(4-methoxyphenyl)allyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide CAS Name: N-[[(3S)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-piperidin-1-iumyl]methyl]-2-thiophenecarboxamide IUPAC Name: N-[[(3S)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Traditional Name: N-[[(3S)-1-[(E)-3-(4-methoxyphenyl)allyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Formula: C21H27N2O2S+ MolecularWeight: 371.51628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC[NH+]2CCCC(C2)CNC(=O)C3=CC=CS3

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C[NH+]2CCC[C@H](C2)CNC(=O)C3=CC=CS3

InChI

InChI=1S/C21H26N2O2S/c1-25-19-10-8-17(9-11-19)5-2-12-23-13-3-6-18(16-23)15-22-21(24)20-7-4-14-26-20/h2,4-5,7-11,14,18H,3,6,12-13,15-16H2,1H3,(H,22,24)/p+1/b5-2+/t18-/m0/s1