1-oxidanidyl-1-[piperidin-4-yl(pyridin-4-yl)methyl]-4-(4-prop-1-en-2-ylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-oxidanidyl-1-[piperidin-4-yl(pyridin-4-yl)methyl]-4-(4-prop-1-en-2-ylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 4-(4-isopropenylphenyl)sulfonyl-1-oxido-1-[4-piperidyl(4-pyridyl)methyl]piperazin-1-ium CAS Name: 4-[4-(1-methylethenyl)phenyl]sulfonyl-1-oxido-1-[4-piperidinyl(pyridin-4-yl)methyl]piperazin-1-ium IUPAC Name: 1-oxido-1-[piperidin-4-yl(pyridin-4-yl)methyl]-4-(4-prop-1-en-2-ylphenyl)sulfonylpiperazin-1-ium Traditional Name: 4-(4-isopropenylphenyl)sulfonyl-1-oxido-1-[4-piperidyl(4-pyridyl)methyl]piperazin-1-ium Formula: C24H32N4O3S MolecularWeight: 456.60088

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=CC=C(C=C1)S(=O)(=O)N2CC[N+](CC2)(C(C3CCNCC3)C4=CC=NC=C4)[O-]

Isomeric SMILES

CC(=C)C1=CC=C(C=C1)S(=O)(=O)N2CC[N+](CC2)(C(C3CCNCC3)C4=CC=NC=C4)[O-]

InChI

InChI=1S/C24H32N4O3S/c1-19(2)20-3-5-23(6-4-20)32(30,31)27-15-17-28(29,18-16-27)24(21-7-11-25-12-8-21)22-9-13-26-14-10-22/h3-8,11-12,22,24,26H,1,9-10,13-18H2,2H3