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

Systemtic Name: N-[3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide Openeye Name: N-[3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide CAS Name: N-[3-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide IUPAC Name: N-[3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide Traditional Name: N-[3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide Formula: C16H27N3OS+2 MolecularWeight: 309.47008

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(S1)CCCC2)C[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CC(=O)NC1=C(C2=C(S1)CCCC2)C[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C16H25N3OS/c1-12(20)17-16-14(11-19-9-7-18(2)8-10-19)13-5-3-4-6-15(13)21-16/h3-11H2,1-2H3,(H,17,20)/p+2