N-[4,5-dimethyl-3-[(R)-(4-phenylpiperazin-1-ium-1-yl)-thiophen-2-yl-methyl]thiophen-2-yl]benzamide

Systemtic Name: N-[4,5-dimethyl-3-[(R)-(4-phenylpiperazin-1-ium-1-yl)-thiophen-2-yl-methyl]thiophen-2-yl]benzamide Openeye Name: N-[4,5-dimethyl-3-[(R)-(4-phenylpiperazin-1-ium-1-yl)-(2-thienyl)methyl]-2-thienyl]benzamide CAS Name: N-[4,5-dimethyl-3-[(R)-(4-phenyl-1-piperazin-1-iumyl)-thiophen-2-ylmethyl]-2-thiophenyl]benzamide IUPAC Name: N-[4,5-dimethyl-3-[(R)-(4-phenylpiperazin-1-ium-1-yl)-thiophen-2-ylmethyl]thiophen-2-yl]benzamide Traditional Name: N-[4,5-dimethyl-3-[(R)-(4-phenylpiperazin-1-ium-1-yl)-(2-thienyl)methyl]-2-thienyl]benzamide Formula: C28H30N3OS2+ MolecularWeight: 488.6873

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(C2=CC=CS2)[NH+]3CCN(CC3)C4=CC=CC=C4)NC(=O)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(SC(=C1[C@H](C2=CC=CS2)[NH+]3CCN(CC3)C4=CC=CC=C4)NC(=O)C5=CC=CC=C5)C

InChI

InChI=1S/C28H29N3OS2/c1-20-21(2)34-28(29-27(32)22-10-5-3-6-11-22)25(20)26(24-14-9-19-33-24)31-17-15-30(16-18-31)23-12-7-4-8-13-23/h3-14,19,26H,15-18H2,1-2H3,(H,29,32)/p+1/t26-/m0/s1