N-ethyl-N-(phenylmethyl)-1,4-diazepan-4-ium-1-sulfonamide

Systemtic Name: N-ethyl-N-(phenylmethyl)-1,4-diazepan-4-ium-1-sulfonamide Openeye Name: N-benzyl-N-ethyl-1,4-diazepan-4-ium-1-sulfonamide CAS Name: N-ethyl-N-(phenylmethyl)-1,4-diazepan-4-ium-1-sulfonamide IUPAC Name: N-benzyl-N-ethyl-1,4-diazepan-4-ium-1-sulfonamide Traditional Name: N-benzyl-N-ethyl-1,4-diazepan-4-ium-1-sulfonamide Formula: C14H24N3O2S+ MolecularWeight: 298.42426

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)S(=O)(=O)N2CCC[NH2+]CC2

Isomeric SMILES

CCN(CC1=CC=CC=C1)S(=O)(=O)N2CCC[NH2+]CC2

InChI

InChI=1S/C14H23N3O2S/c1-2-16(13-14-7-4-3-5-8-14)20(18,19)17-11-6-9-15-10-12-17/h3-5,7-8,15H,2,6,9-13H2,1H3/p+1