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

Systemtic Name: N-[4,5-dimethyl-3-[(S)-(4-phenylpiperazin-1-ium-1-yl)-pyridin-4-yl-methyl]thiophen-2-yl]benzamide Openeye Name: N-[4,5-dimethyl-3-[(S)-(4-phenylpiperazin-1-ium-1-yl)-(4-pyridyl)methyl]-2-thienyl]benzamide CAS Name: N-[4,5-dimethyl-3-[(S)-(4-phenyl-1-piperazin-1-iumyl)-pyridin-4-ylmethyl]-2-thiophenyl]benzamide IUPAC Name: N-[4,5-dimethyl-3-[(S)-(4-phenylpiperazin-1-ium-1-yl)-pyridin-4-ylmethyl]thiophen-2-yl]benzamide Traditional Name: N-[4,5-dimethyl-3-[(S)-(4-phenylpiperazin-1-ium-1-yl)-(4-pyridyl)methyl]-2-thienyl]benzamide Formula: C29H31N4OS+ MolecularWeight: 483.64764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30N4OS/c1-21-22(2)35-29(31-28(34)24-9-5-3-6-10-24)26(21)27(23-13-15-30-16-14-23)33-19-17-32(18-20-33)25-11-7-4-8-12-25/h3-16,27H,17-20H2,1-2H3,(H,31,34)/p+1/t27-/m0/s1