2-azanyl-4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]phenol

Systemtic Name: 2-azanyl-4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]phenol Openeye Name: 2-amino-4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]phenol CAS Name: 2-amino-4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]phenol IUPAC Name: 2-amino-4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]phenol Traditional Name: 2-amino-4-[(4-methyl-1,4-diazepan-4-ium-1-yl)sulfonyl]phenol Formula: C12H20N3O3S+ MolecularWeight: 286.3705

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)O)N

Isomeric SMILES

C[NH+]1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)O)N

InChI

InChI=1S/C12H19N3O3S/c1-14-5-2-6-15(8-7-14)19(17,18)10-3-4-12(16)11(13)9-10/h3-4,9,16H,2,5-8,13H2,1H3/p+1