N-[5-ethyl-3-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]thiophen-2-yl]benzamide

Systemtic Name: N-[5-ethyl-3-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]thiophen-2-yl]benzamide Openeye Name: N-[3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-ethyl-2-thienyl]benzamide CAS Name: N-[5-ethyl-3-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-2-thiophenyl]benzamide IUPAC Name: N-[3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-ethylthiophen-2-yl]benzamide Traditional Name: N-[3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-ethyl-2-thienyl]benzamide Formula: C26H31N2OS+ MolecularWeight: 419.60214

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H30N2OS/c1-2-24-18-23(26(30-24)27-25(29)22-11-7-4-8-12-22)19-28-15-13-21(14-16-28)17-20-9-5-3-6-10-20/h3-12,18,21H,2,13-17,19H2,1H3,(H,27,29)/p+1