N-[3-[(S)-(4-ethoxyphenyl)-piperidin-1-ium-1-yl-methyl]-4,5-dimethyl-thiophen-2-yl]furan-2-carboxamide

Systemtic Name: N-[3-[(S)-(4-ethoxyphenyl)-piperidin-1-ium-1-yl-methyl]-4,5-dimethyl-thiophen-2-yl]furan-2-carboxamide Openeye Name: N-[3-[(S)-(4-ethoxyphenyl)-piperidin-1-ium-1-yl-methyl]-4,5-dimethyl-2-thienyl]furan-2-carboxamide CAS Name: N-[3-[(S)-(4-ethoxyphenyl)-(1-piperidin-1-iumyl)methyl]-4,5-dimethyl-2-thiophenyl]-2-furancarboxamide IUPAC Name: N-[3-[(S)-(4-ethoxyphenyl)-piperidin-1-ium-1-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide Traditional Name: N-[4,5-dimethyl-3-[(S)-piperidin-1-ium-1-yl(p-phenetyl)methyl]-2-thienyl]-2-furamide Formula: C25H31N2O3S+ MolecularWeight: 439.59024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C2=C(SC(=C2C)C)NC(=O)C3=CC=CO3)[NH+]4CCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@H](C2=C(SC(=C2C)C)NC(=O)C3=CC=CO3)[NH+]4CCCCC4

InChI

InChI=1S/C25H30N2O3S/c1-4-29-20-12-10-19(11-13-20)23(27-14-6-5-7-15-27)22-17(2)18(3)31-25(22)26-24(28)21-9-8-16-30-21/h8-13,16,23H,4-7,14-15H2,1-3H3,(H,26,28)/p+1/t23-/m0/s1