N-[(6R)-3-(4-ethylpiperazin-4-ium-1-yl)carbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(6R)-3-(4-ethylpiperazin-4-ium-1-yl)carbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiophene-2-carboxamide Openeye Name: N-[(6R)-3-(4-ethylpiperazin-4-ium-1-carbonyl)-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiophene-2-carboxamide CAS Name: N-[(6R)-3-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(6R)-3-(4-ethylpiperazin-4-ium-1-carbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiophene-2-carboxamide Traditional Name: N-[(6R)-3-(4-ethylpiperazin-4-ium-1-carbonyl)-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiophene-2-carboxamide Formula: C21H28N3O2S2+ MolecularWeight: 418.59592

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=C(SC3=C2CCC(C3)C)NC(=O)C4=CC=CS4

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=C(SC3=C2CC[C@H](C3)C)NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H27N3O2S2/c1-3-23-8-10-24(11-9-23)21(26)18-15-7-6-14(2)13-17(15)28-20(18)22-19(25)16-5-4-12-27-16/h4-5,12,14H,3,6-11,13H2,1-2H3,(H,22,25)/p+1/t14-/m1/s1