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

Systemtic Name: N-[3-[(4-methylpiperazine-1,4-diium-1-yl)-pyridin-1-ium-2-yl-methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide Openeye Name: N-[3-[(4-methylpiperazine-1,4-diium-1-yl)-pyridin-1-ium-2-yl-methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide CAS Name: N-[3-[(4-methyl-1-piperazine-1,4-diiumyl)-(2-pyridin-1-iumyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide IUPAC Name: N-[3-[(4-methylpiperazine-1,4-diium-1-yl)-pyridin-1-ium-2-ylmethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide Traditional Name: N-[3-[(4-methylpiperazine-1,4-diium-1-yl)-pyridin-1-ium-2-yl-methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide Formula: C21H31N4OS+3 MolecularWeight: 387.56204

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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+]4CC[NH+](CC4)C

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4OS/c1-15(26)23-21-19(16-7-3-4-9-18(16)27-21)20(17-8-5-6-10-22-17)25-13-11-24(2)12-14-25/h5-6,8,10,20H,3-4,7,9,11-14H2,1-2H3,(H,23,26)/p+3