[4-[(4-ethanoylpiperazin-1-yl)sulfonylmethyl]phenyl]methylazanium

Systemtic Name: [4-[(4-ethanoylpiperazin-1-yl)sulfonylmethyl]phenyl]methylazanium Openeye Name: [4-[(4-acetylpiperazin-1-yl)sulfonylmethyl]phenyl]methylammonium CAS Name: [4-[(4-acetyl-1-piperazinyl)sulfonylmethyl]phenyl]methylammonium IUPAC Name: [4-[(4-acetylpiperazin-1-yl)sulfonylmethyl]phenyl]methylazanium Traditional Name: [4-[(4-acetylpiperazino)sulfonylmethyl]benzyl]ammonium Formula: C14H22N3O3S+ MolecularWeight: 312.40778

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)CC2=CC=C(C=C2)C[NH3+]

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)CC2=CC=C(C=C2)C[NH3+]

InChI

InChI=1S/C14H21N3O3S/c1-12(18)16-6-8-17(9-7-16)21(19,20)11-14-4-2-13(10-15)3-5-14/h2-5H,6-11,15H2,1H3/p+1