1-(2-nitrophenyl)sulfonyl-4-(1-propylpiperidin-1-ium-4-yl)piperazin-4-ium

Systemtic Name: 1-(2-nitrophenyl)sulfonyl-4-(1-propylpiperidin-1-ium-4-yl)piperazin-4-ium Openeye Name: 1-(2-nitrophenyl)sulfonyl-4-(1-propylpiperidin-1-ium-4-yl)piperazin-4-ium CAS Name: 1-(2-nitrophenyl)sulfonyl-4-(1-propyl-4-piperidin-1-iumyl)piperazin-4-ium IUPAC Name: 1-(2-nitrophenyl)sulfonyl-4-(1-propylpiperidin-1-ium-4-yl)piperazin-4-ium Traditional Name: 1-(2-nitrophenyl)sulfonyl-4-(1-propylpiperidin-1-ium-4-yl)piperazin-4-ium Formula: C18H30N4O4S+2 MolecularWeight: 398.5202

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCC[NH+]1CCC(CC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H28N4O4S/c1-2-9-19-10-7-16(8-11-19)20-12-14-21(15-13-20)27(25,26)18-6-4-3-5-17(18)22(23)24/h3-6,16H,2,7-15H2,1H3/p+2