N-(1-cyanocycloheptyl)-2-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1-cyanocycloheptyl)-2-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1-cyanocycloheptyl)-2-[4-(5-morpholinosulfonyl-2-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(1-cyanocycloheptyl)-2-[4-[5-(4-morpholinylsulfonyl)-2-pyridinyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1-cyanocycloheptyl)-2-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1-cyanocycloheptyl)-2-[4-(5-morpholinosulfonyl-2-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C23H35N6O4S+ MolecularWeight: 491.6268

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C#N)NC(=O)C[NH+]2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CCCC(CC1)(C#N)NC(=O)C[NH+]2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C23H34N6O4S/c24-19-23(7-3-1-2-4-8-23)26-22(30)18-27-9-11-28(12-10-27)21-6-5-20(17-25-21)34(31,32)29-13-15-33-16-14-29/h5-6,17H,1-4,7-16,18H2,(H,26,30)/p+1