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

Systemtic Name: N-[5-ethyl-3-[piperidin-1-ium-1-yl-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]benzamide Openeye Name: N-[5-ethyl-3-[(4-isopropylphenyl)-piperidin-1-ium-1-yl-methyl]-2-thienyl]benzamide CAS Name: N-[5-ethyl-3-[1-piperidin-1-iumyl-(4-propan-2-ylphenyl)methyl]-2-thiophenyl]benzamide IUPAC Name: N-[5-ethyl-3-[piperidin-1-ium-1-yl-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]benzamide Traditional Name: N-[5-ethyl-3-[p-cumenyl(piperidin-1-ium-1-yl)methyl]-2-thienyl]benzamide Formula: C28H35N2OS+ MolecularWeight: 447.6553

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C(C3=CC=C(C=C3)C(C)C)[NH+]4CCCCC4

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C(C3=CC=C(C=C3)C(C)C)[NH+]4CCCCC4

InChI

InChI=1S/C28H34N2OS/c1-4-24-19-25(28(32-24)29-27(31)23-11-7-5-8-12-23)26(30-17-9-6-10-18-30)22-15-13-21(14-16-22)20(2)3/h5,7-8,11-16,19-20,26H,4,6,9-10,17-18H2,1-3H3,(H,29,31)/p+1