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

Systemtic Name: N-[3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Openeye Name: N-[3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide CAS Name: N-[3-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide IUPAC Name: N-[3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide Traditional Name: N-[3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]benzamide Formula: C22H31N3OS+2 MolecularWeight: 385.56604

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC2=C(SC3=C2CCCC3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC2=C(SC3=C2CCCC3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H29N3OS/c1-2-24-12-14-25(15-13-24)16-19-18-10-6-7-11-20(18)27-22(19)23-21(26)17-8-4-3-5-9-17/h3-5,8-9H,2,6-7,10-16H2,1H3,(H,23,26)/p+2