N-cyclopropyl-2-[4-(1-pyridin-3-ylsulfonylpiperidin-4-yl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-(1-pyridin-3-ylsulfonylpiperidin-4-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[1-(3-pyridylsulfonyl)piperidine-4-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[oxo-[1-(3-pyridinylsulfonyl)-4-piperidinyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[1-(3-pyridylsulfonyl)isonipecotoyl]piperazin-1-ium-1-yl]acetamide Formula: C20H30N5O4S+ MolecularWeight: 436.5483

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C20H29N5O4S/c26-19(22-17-3-4-17)15-23-10-12-24(13-11-23)20(27)16-5-8-25(9-6-16)30(28,29)18-2-1-7-21-14-18/h1-2,7,14,16-17H,3-6,8-13,15H2,(H,22,26)/p+1