[4-(4-methanoylpiperazin-1-yl)sulfonylphenyl]methyl-methyl-azanium

Systemtic Name: [4-(4-methanoylpiperazin-1-yl)sulfonylphenyl]methyl-methyl-azanium Openeye Name: [4-(4-formylpiperazin-1-yl)sulfonylphenyl]methyl-methyl-ammonium CAS Name: [4-[(4-formyl-1-piperazinyl)sulfonyl]phenyl]methyl-methylammonium IUPAC Name: [4-(4-formylpiperazin-1-yl)sulfonylphenyl]methyl-methylazanium Traditional Name: [4-(4-formylpiperazino)sulfonylbenzyl]-methyl-ammonium Formula: C13H20N3O3S+ MolecularWeight: 298.3812

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C=O

Isomeric SMILES

C[NH2+]CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C=O

InChI

InChI=1S/C13H19N3O3S/c1-14-10-12-2-4-13(5-3-12)20(18,19)16-8-6-15(11-17)7-9-16/h2-5,11,14H,6-10H2,1H3/p+1