1-(3-phenylpropylsulfonyl)-1,4-diazepan-4-ium

Systemtic Name: 1-(3-phenylpropylsulfonyl)-1,4-diazepan-4-ium Openeye Name: 1-(3-phenylpropylsulfonyl)-1,4-diazepan-4-ium CAS Name: 1-(3-phenylpropylsulfonyl)-1,4-diazepan-4-ium IUPAC Name: 1-(3-phenylpropylsulfonyl)-1,4-diazepan-4-ium Traditional Name: 1-(3-phenylpropylsulfonyl)-1,4-diazepan-4-ium Formula: C14H23N2O2S+ MolecularWeight: 283.40962

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)S(=O)(=O)CCCC2=CC=CC=C2

Isomeric SMILES

C1C[NH2+]CCN(C1)S(=O)(=O)CCCC2=CC=CC=C2

InChI

InChI=1S/C14H22N2O2S/c17-19(18,16-11-5-9-15-10-12-16)13-4-8-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2/p+1