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

Systemtic Name: (6S)-6-tert-butyl-2-(2-piperazine-1,4-diium-1-ylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6S)-6-tert-butyl-2-[(2-piperazine-1,4-diium-1-ylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6S)-6-tert-butyl-2-[[1-oxo-2-(1-piperazine-1,4-diiumyl)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6S)-6-tert-butyl-2-[(2-piperazine-1,4-diium-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6S)-6-tert-butyl-2-[(2-piperazine-1,4-diium-1-ylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C19H32N4O2S+2 MolecularWeight: 380.54798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C[NH+]3CC[NH2+]CC3

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O2S/c1-19(2,3)12-4-5-13-14(10-12)26-18(16(13)17(20)25)22-15(24)11-23-8-6-21-7-9-23/h12,21H,4-11H2,1-3H3,(H2,20,25)(H,22,24)/p+2/t12-/m0/s1