methyl-[(3S)-1-[(E)-2-phenylethenyl]sulfonylpiperidin-3-yl]-(2-pyridin-2-ylethyl)azanium

Systemtic Name: methyl-[(3S)-1-[(E)-2-phenylethenyl]sulfonylpiperidin-3-yl]-(2-pyridin-2-ylethyl)azanium Openeye Name: methyl-[2-(2-pyridyl)ethyl]-[(3S)-1-[(E)-styryl]sulfonyl-3-piperidyl]ammonium CAS Name: methyl-[(3S)-1-[(E)-2-phenylethenyl]sulfonyl-3-piperidinyl]-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: methyl-[(3S)-1-[(E)-2-phenylethenyl]sulfonylpiperidin-3-yl]-(2-pyridin-2-ylethyl)azanium Traditional Name: methyl-[2-(2-pyridyl)ethyl]-[(3S)-1-[(E)-styryl]sulfonyl-3-piperidyl]ammonium Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)C2CCCN(C2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)[C@H]2CCCN(C2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2S/c1-23(16-12-20-10-5-6-14-22-20)21-11-7-15-24(18-21)27(25,26)17-13-19-8-3-2-4-9-19/h2-6,8-10,13-14,17,21H,7,11-12,15-16,18H2,1H3/p+1/b17-13+/t21-/m0/s1