N-[3-[(4-phenylpiperazin-1-ium-1-yl)-pyridin-1-ium-2-yl-methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide

Systemtic Name: N-[3-[(4-phenylpiperazin-1-ium-1-yl)-pyridin-1-ium-2-yl-methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide Openeye Name: N-[3-[(4-phenylpiperazin-1-ium-1-yl)-pyridin-1-ium-2-yl-methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide CAS Name: N-[3-[(4-phenyl-1-piperazin-1-iumyl)-(2-pyridin-1-iumyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide IUPAC Name: N-[3-[(4-phenylpiperazin-1-ium-1-yl)-pyridin-1-ium-2-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide Traditional Name: N-[3-[(4-phenylpiperazin-1-ium-1-yl)-pyridin-1-ium-2-yl-methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide Formula: C26H32N4OS+2 MolecularWeight: 448.62348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(S1)CCCC2)C(C3=CC=CC=[NH+]3)[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)NC1=C(C2=C(S1)CCCC2)C(C3=CC=CC=[NH+]3)[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C26H30N4OS/c1-19(31)28-26-24(21-11-5-6-13-23(21)32-26)25(22-12-7-8-14-27-22)30-17-15-29(16-18-30)20-9-3-2-4-10-20/h2-4,7-10,12,14,25H,5-6,11,13,15-18H2,1H3,(H,28,31)/p+2