ethyl-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]methyl]azanium

Systemtic Name: ethyl-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]methyl]azanium Openeye Name: ethyl-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]methyl]ammonium CAS Name: ethyl-[[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]methyl]ammonium IUPAC Name: ethyl-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]methyl]azanium Traditional Name: ethyl-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzyl]ammonium Formula: C14H25N3O2S+2 MolecularWeight: 299.4322

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH2+]CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CC[NH2+]CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C14H23N3O2S/c1-3-15-12-13-4-6-14(7-5-13)20(18,19)17-10-8-16(2)9-11-17/h4-7,15H,3,8-12H2,1-2H3/p+2