N-[5-ethyl-3-[(R)-(4-methoxyphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]benzamide

Systemtic Name: N-[5-ethyl-3-[(R)-(4-methoxyphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]benzamide Openeye Name: N-[5-ethyl-3-[(R)-(4-methoxyphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-2-thienyl]benzamide CAS Name: N-[5-ethyl-3-[(R)-(4-methoxyphenyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-2-thiophenyl]benzamide IUPAC Name: N-[5-ethyl-3-[(R)-(4-methoxyphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]benzamide Traditional Name: N-[5-ethyl-3-[(R)-(4-methoxyphenyl)-(4-pyridin-1-ium-2-ylpiperazino)methyl]-2-thienyl]benzamide Formula: C30H33N4O2S+ MolecularWeight: 513.67362

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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)OC)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)[C@@H](C3=CC=C(C=C3)OC)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C30H32N4O2S/c1-3-25-21-26(30(37-25)32-29(35)23-9-5-4-6-10-23)28(22-12-14-24(36-2)15-13-22)34-19-17-33(18-20-34)27-11-7-8-16-31-27/h4-16,21,28H,3,17-20H2,1-2H3,(H,32,35)/p+1/t28-/m1/s1