1-(phenylmethyl)sulfonyl-4-(1-propylpiperidin-1-ium-4-yl)piperazin-4-ium

Systemtic Name: 1-(phenylmethyl)sulfonyl-4-(1-propylpiperidin-1-ium-4-yl)piperazin-4-ium Openeye Name: 1-benzylsulfonyl-4-(1-propylpiperidin-1-ium-4-yl)piperazin-4-ium CAS Name: 1-(phenylmethyl)sulfonyl-4-(1-propyl-4-piperidin-1-iumyl)piperazin-4-ium IUPAC Name: 1-benzylsulfonyl-4-(1-propylpiperidin-1-ium-4-yl)piperazin-4-ium Traditional Name: 1-benzylsulfonyl-4-(1-propylpiperidin-1-ium-4-yl)piperazin-4-ium Formula: C19H33N3O2S+2 MolecularWeight: 367.54922

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCC[NH+]1CCC(CC1)[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H31N3O2S/c1-2-10-20-11-8-19(9-12-20)21-13-15-22(16-14-21)25(23,24)17-18-6-4-3-5-7-18/h3-7,19H,2,8-17H2,1H3/p+2