2-[4-(azepan-1-ylsulfonyl)phenoxy]ethylazanium

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]ethylazanium Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]ethylammonium CAS Name: 2-[4-(1-azepanylsulfonyl)phenoxy]ethylammonium IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]ethylazanium Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]ethylammonium Formula: C14H23N2O3S+ MolecularWeight: 299.40902

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC[NH3+]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC[NH3+]

InChI

InChI=1S/C14H22N2O3S/c15-9-12-19-13-5-7-14(8-6-13)20(17,18)16-10-3-1-2-4-11-16/h5-8H,1-4,9-12,15H2/p+1