oxidanylidenemethylidene-(1-phenethylpiperidin-4-yl)-(phenylmethyl)sulfonyl-azanium

Systemtic Name: oxidanylidenemethylidene-(1-phenethylpiperidin-4-yl)-(phenylmethyl)sulfonyl-azanium Openeye Name: benzylsulfonyl-(oxomethylene)-(1-phenethyl-4-piperidyl)ammonium CAS Name: oxomethylidene-(1-phenethyl-4-piperidinyl)-(phenylmethyl)sulfonylammonium IUPAC Name: benzylsulfonyl-(oxomethylidene)-(1-phenethylpiperidin-4-yl)azanium Traditional Name: benzylsulfonyl-(ketomethylene)-(1-phenethyl-4-piperidyl)ammonium Formula: C21H25N2O3S+ MolecularWeight: 385.4998

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[N+](=C=O)S(=O)(=O)CC2=CC=CC=C2)CCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1[N+](=C=O)S(=O)(=O)CC2=CC=CC=C2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H25N2O3S/c24-18-23(27(25,26)17-20-9-5-2-6-10-20)21-12-15-22(16-13-21)14-11-19-7-3-1-4-8-19/h1-10,21H,11-17H2/q+1