[(3S)-1-(2-methoxycarbonylphenyl)sulfonylpiperidin-3-yl]-methyl-phenethyl-azanium

Systemtic Name: [(3S)-1-(2-methoxycarbonylphenyl)sulfonylpiperidin-3-yl]-methyl-phenethyl-azanium Openeye Name: [(3S)-1-(2-methoxycarbonylphenyl)sulfonyl-3-piperidyl]-methyl-phenethyl-ammonium CAS Name: [(3S)-1-(2-methoxycarbonylphenyl)sulfonyl-3-piperidinyl]-methyl-phenethylammonium IUPAC Name: [(3S)-1-(2-methoxycarbonylphenyl)sulfonylpiperidin-3-yl]-methyl-phenethylazanium Traditional Name: [(3S)-1-(2-carbomethoxyphenyl)sulfonyl-3-piperidyl]-methyl-phenethyl-ammonium Formula: C22H29N2O4S+ MolecularWeight: 417.54166

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C22H28N2O4S/c1-23(16-14-18-9-4-3-5-10-18)19-11-8-15-24(17-19)29(26,27)21-13-7-6-12-20(21)22(25)28-2/h3-7,9-10,12-13,19H,8,11,14-17H2,1-2H3/p+1/t19-/m0/s1