N-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-sulfonamide

Systemtic Name: N-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-sulfonamide Openeye Name: N-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-sulfonamide CAS Name: N-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumsulfonamide IUPAC Name: N-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-sulfonamide Traditional Name: N-p-anisylpiperazin-4-ium-1-sulfonamide Formula: C12H20N3O3S+ MolecularWeight: 286.3705

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNS(=O)(=O)N2CC[NH2+]CC2

Isomeric SMILES

COC1=CC=C(C=C1)CNS(=O)(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C12H19N3O3S/c1-18-12-4-2-11(3-5-12)10-14-19(16,17)15-8-6-13-7-9-15/h2-5,13-14H,6-10H2,1H3/p+1