[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-methyl-phenethyl-azanium

Systemtic Name: [(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-methyl-phenethyl-azanium Openeye Name: [(3S)-1-(3,5-dimethylisoxazol-4-yl)sulfonyl-3-piperidyl]-methyl-phenethyl-ammonium CAS Name: [(3S)-1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-3-piperidinyl]-methyl-phenethylammonium IUPAC Name: [(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-methyl-phenethylazanium Traditional Name: [(3S)-1-(3,5-dimethylisoxazol-4-yl)sulfonyl-3-piperidyl]-methyl-phenethyl-ammonium Formula: C19H28N3O3S+ MolecularWeight: 378.50892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCC(C2)[NH+](C)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCC[C@@H](C2)[NH+](C)CCC3=CC=CC=C3

InChI

InChI=1S/C19H27N3O3S/c1-15-19(16(2)25-20-15)26(23,24)22-12-7-10-18(14-22)21(3)13-11-17-8-5-4-6-9-17/h4-6,8-9,18H,7,10-14H2,1-3H3/p+1/t18-/m0/s1