[2-(azepan-1-yl)phenyl]-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]azanium

Systemtic Name: [2-(azepan-1-yl)phenyl]-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]azanium Openeye Name: [2-(azepan-1-yl)phenyl]-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]ammonium CAS Name: [2-(1-azepanyl)phenyl]-[2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl]ammonium IUPAC Name: [2-(azepan-1-yl)phenyl]-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]azanium Traditional Name: [2-(azepan-1-yl)phenyl]-[2-keto-2-(4-mesylpiperazino)ethyl]ammonium Formula: C19H31N4O3S+ MolecularWeight: 395.53944

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)C[NH2+]C2=CC=CC=C2N3CCCCCC3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)C[NH2+]C2=CC=CC=C2N3CCCCCC3

InChI

InChI=1S/C19H30N4O3S/c1-27(25,26)23-14-12-22(13-15-23)19(24)16-20-17-8-4-5-9-18(17)21-10-6-2-3-7-11-21/h4-5,8-9,20H,2-3,6-7,10-16H2,1H3/p+1