2-[2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-ium-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C23H33N6O2S+ MolecularWeight: 457.61212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)CC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)CC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N

InChI

InChI=1S/C23H32N6O2S/c1-14(2)22-25-15(3)12-18(26-22)29-10-8-28(9-11-29)13-19(30)27-23-20(21(24)31)16-6-4-5-7-17(16)32-23/h12,14H,4-11,13H2,1-3H3,(H2,24,31)(H,27,30)/p+1