[3-(cyclohexylcarbonylamino)-2-methoxycarbonyl-thieno[2,3-b]pyridin-6-yl]methyl-ethyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: [3-(cyclohexylcarbonylamino)-2-methoxycarbonyl-thieno[2,3-b]pyridin-6-yl]methyl-ethyl-(pyridin-4-ylmethyl)azanium Openeye Name: [3-(cyclohexanecarbonylamino)-2-methoxycarbonyl-thieno[2,3-b]pyridin-6-yl]methyl-ethyl-(4-pyridylmethyl)ammonium CAS Name: [3-[[cyclohexyl(oxo)methyl]amino]-2-methoxycarbonyl-6-thieno[2,3-b]pyridinyl]methyl-ethyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: [3-(cyclohexanecarbonylamino)-2-methoxycarbonylthieno[2,3-b]pyridin-6-yl]methyl-ethyl-(pyridin-4-ylmethyl)azanium Traditional Name: [2-carbomethoxy-3-(cyclohexanecarbonylamino)thieno[2,3-b]pyridin-6-yl]methyl-ethyl-(4-pyridylmethyl)ammonium Formula: C25H31N4O3S+ MolecularWeight: 467.60364

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)CC2=NC3=C(C=C2)C(=C(S3)C(=O)OC)NC(=O)C4CCCCC4

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)CC2=NC3=C(C=C2)C(=C(S3)C(=O)OC)NC(=O)C4CCCCC4

InChI

InChI=1S/C25H30N4O3S/c1-3-29(15-17-11-13-26-14-12-17)16-19-9-10-20-21(22(25(31)32-2)33-24(20)27-19)28-23(30)18-7-5-4-6-8-18/h9-14,18H,3-8,15-16H2,1-2H3,(H,28,30)/p+1