N,N-diethyl-4-(4-propan-2-ylpiperazin-4-ium-1-yl)pyridin-1-ium-3-sulfonamide

Systemtic Name: N,N-diethyl-4-(4-propan-2-ylpiperazin-4-ium-1-yl)pyridin-1-ium-3-sulfonamide Openeye Name: N,N-diethyl-4-(4-isopropylpiperazin-4-ium-1-yl)pyridin-1-ium-3-sulfonamide CAS Name: N,N-diethyl-4-(4-propan-2-yl-1-piperazin-4-iumyl)-3-pyridin-1-iumsulfonamide IUPAC Name: N,N-diethyl-4-(4-propan-2-ylpiperazin-4-ium-1-yl)pyridin-1-ium-3-sulfonamide Traditional Name: N,N-diethyl-4-(4-isopropylpiperazin-4-ium-1-yl)pyridin-1-ium-3-sulfonamide Formula: C16H30N4O2S+2 MolecularWeight: 342.5

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=C[NH+]=C1)N2CC[NH+](CC2)C(C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=C[NH+]=C1)N2CC[NH+](CC2)C(C)C

InChI

InChI=1S/C16H28N4O2S/c1-5-20(6-2)23(21,22)16-13-17-8-7-15(16)19-11-9-18(10-12-19)14(3)4/h7-8,13-14H,5-6,9-12H2,1-4H3/p+2