(6S)-6-methyl-2-(2-piperazine-1,4-diium-1-ylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: (6S)-6-methyl-2-(2-piperazine-1,4-diium-1-ylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6S)-6-methyl-2-[(2-piperazine-1,4-diium-1-ylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6S)-6-methyl-2-[[1-oxo-2-(1-piperazine-1,4-diiumyl)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6S)-6-methyl-2-[(2-piperazine-1,4-diium-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6S)-6-methyl-2-[(2-piperazine-1,4-diium-1-ylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C16H26N4O2S+2 MolecularWeight: 338.46824

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C[NH+]3CC[NH2+]CC3

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C[NH+]3CC[NH2+]CC3

InChI

InChI=1S/C16H24N4O2S/c1-10-2-3-11-12(8-10)23-16(14(11)15(17)22)19-13(21)9-20-6-4-18-5-7-20/h10,18H,2-9H2,1H3,(H2,17,22)(H,19,21)/p+2/t10-/m0/s1