ethyl-[(3S)-1-[(E)-2-phenylethenyl]sulfonylpiperidin-3-yl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: ethyl-[(3S)-1-[(E)-2-phenylethenyl]sulfonylpiperidin-3-yl]-(pyridin-4-ylmethyl)azanium Openeye Name: ethyl-(4-pyridylmethyl)-[(3S)-1-[(E)-styryl]sulfonyl-3-piperidyl]ammonium CAS Name: ethyl-[(3S)-1-[(E)-2-phenylethenyl]sulfonyl-3-piperidinyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: ethyl-[(3S)-1-[(E)-2-phenylethenyl]sulfonylpiperidin-3-yl]-(pyridin-4-ylmethyl)azanium Traditional Name: ethyl-(4-pyridylmethyl)-[(3S)-1-[(E)-styryl]sulfonyl-3-piperidyl]ammonium Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)C2CCCN(C2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)[C@H]2CCCN(C2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2S/c1-2-23(17-20-10-13-22-14-11-20)21-9-6-15-24(18-21)27(25,26)16-12-19-7-4-3-5-8-19/h3-5,7-8,10-14,16,21H,2,6,9,15,17-18H2,1H3/p+1/b16-12+/t21-/m0/s1