2-[2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

Systemtic Name: 2-[2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Openeye Name: 2-[[2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide CAS Name: 2-[[2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide IUPAC Name: 2-[[2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Traditional Name: 2-[[2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Formula: C22H33N4O3S+ MolecularWeight: 433.58742

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=C(C4=C(S3)CCC4)C(=O)N

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=C(C4=C(S3)CCC4)C(=O)N

InChI

InChI=1S/C22H32N4O3S/c23-20(28)19-16-6-5-7-17(16)30-21(19)24-18(27)14-25-12-8-15(9-13-25)22(29)26-10-3-1-2-4-11-26/h15H,1-14H2,(H2,23,28)(H,24,27)/p+1