N-[(1S)-1-[1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N-methyl-thiophene-2-carboxamide

Systemtic Name: N-[(1S)-1-[1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N-methyl-thiophene-2-carboxamide Openeye Name: N-[(1S)-1-[1-[(3-ethoxy-4-hydroxy-phenyl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N-methyl-thiophene-2-carboxamide CAS Name: N-[(1S)-1-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-piperidin-1-iumyl]-2-phenylethyl]-N-methyl-2-thiophenecarboxamide IUPAC Name: N-[(1S)-1-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]-2-phenylethyl]-N-methylthiophene-2-carboxamide Traditional Name: N-[(1S)-1-[1-(3-ethoxy-4-hydroxy-benzyl)piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N-methyl-thiophene-2-carboxamide Formula: C28H35N2O3S+ MolecularWeight: 479.6541

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(CC3=CC=CC=C3)N(C)C(=O)C4=CC=CS4)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)[C@H](CC3=CC=CC=C3)N(C)C(=O)C4=CC=CS4)O

InChI

InChI=1S/C28H34N2O3S/c1-3-33-26-19-22(11-12-25(26)31)20-30-15-13-23(14-16-30)24(18-21-8-5-4-6-9-21)29(2)28(32)27-10-7-17-34-27/h4-12,17,19,23-24,31H,3,13-16,18,20H2,1-2H3/p+1/t24-/m0/s1