N-[3-[(S)-(4-ethylpiperazin-4-ium-1-yl)-pyridin-2-yl-methyl]-4,5-dimethyl-thiophen-2-yl]benzamide

Systemtic Name: N-[3-[(S)-(4-ethylpiperazin-4-ium-1-yl)-pyridin-2-yl-methyl]-4,5-dimethyl-thiophen-2-yl]benzamide Openeye Name: N-[3-[(S)-(4-ethylpiperazin-4-ium-1-yl)-(2-pyridyl)methyl]-4,5-dimethyl-2-thienyl]benzamide CAS Name: N-[3-[(S)-(4-ethyl-1-piperazin-4-iumyl)-(2-pyridinyl)methyl]-4,5-dimethyl-2-thiophenyl]benzamide IUPAC Name: N-[3-[(S)-(4-ethylpiperazin-4-ium-1-yl)-pyridin-2-ylmethyl]-4,5-dimethylthiophen-2-yl]benzamide Traditional Name: N-[3-[(S)-(4-ethylpiperazin-4-ium-1-yl)-(2-pyridyl)methyl]-4,5-dimethyl-2-thienyl]benzamide Formula: C25H31N4OS+ MolecularWeight: 435.60484

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(C2=CC=CC=N2)C3=C(SC(=C3C)C)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCN(CC1)[C@H](C2=CC=CC=N2)C3=C(SC(=C3C)C)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4OS/c1-4-28-14-16-29(17-15-28)23(21-12-8-9-13-26-21)22-18(2)19(3)31-25(22)27-24(30)20-10-6-5-7-11-20/h5-13,23H,4,14-17H2,1-3H3,(H,27,30)/p+1/t23-/m1/s1