4-(3-piperidin-1-ylsulfonylpyridin-1-ium-4-yl)-N-propan-2-yl-piperazine-1-carboxamide

Systemtic Name: 4-(3-piperidin-1-ylsulfonylpyridin-1-ium-4-yl)-N-propan-2-yl-piperazine-1-carboxamide Openeye Name: N-isopropyl-4-[3-(1-piperidylsulfonyl)pyridin-1-ium-4-yl]piperazine-1-carboxamide CAS Name: 4-[3-(1-piperidinylsulfonyl)-4-pyridin-1-iumyl]-N-propan-2-yl-1-piperazinecarboxamide IUPAC Name: 4-(3-piperidin-1-ylsulfonylpyridin-1-ium-4-yl)-N-propan-2-ylpiperazine-1-carboxamide Traditional Name: N-isopropyl-4-(3-piperidinosulfonylpyridin-1-ium-4-yl)piperazine-1-carboxamide Formula: C18H30N5O3S+ MolecularWeight: 396.5275

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N1CCN(CC1)C2=C(C=[NH+]C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C)NC(=O)N1CCN(CC1)C2=C(C=[NH+]C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H29N5O3S/c1-15(2)20-18(24)22-12-10-21(11-13-22)16-6-7-19-14-17(16)27(25,26)23-8-4-3-5-9-23/h6-7,14-15H,3-5,8-13H2,1-2H3,(H,20,24)/p+1