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

Systemtic Name: ethyl-[(3S)-1-(2-methoxycarbonylthiophen-3-yl)sulfonylpiperidin-3-yl]-(pyridin-4-ylmethyl)azanium Openeye Name: ethyl-[(3S)-1-[(2-methoxycarbonyl-3-thienyl)sulfonyl]-3-piperidyl]-(4-pyridylmethyl)ammonium CAS Name: ethyl-[(3S)-1-[(2-methoxycarbonyl-3-thiophenyl)sulfonyl]-3-piperidinyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: ethyl-[(3S)-1-(2-methoxycarbonylthiophen-3-yl)sulfonylpiperidin-3-yl]-(pyridin-4-ylmethyl)azanium Traditional Name: [(3S)-1-[(2-carbomethoxy-3-thienyl)sulfonyl]-3-piperidyl]-ethyl-(4-pyridylmethyl)ammonium Formula: C19H26N3O4S2+ MolecularWeight: 424.55744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O4S2/c1-3-21(13-15-6-9-20-10-7-15)16-5-4-11-22(14-16)28(24,25)17-8-12-27-18(17)19(23)26-2/h6-10,12,16H,3-5,11,13-14H2,1-2H3/p+1/t16-/m0/s1