4-[[2-[(3-ethoxypyridin-2-yl)amino]-1,3-thiazol-5-yl]methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[[2-[(3-ethoxypyridin-2-yl)amino]-1,3-thiazol-5-yl]methyl]piperazin-4-ium-2-one Openeye Name: 4-[[2-[(3-ethoxy-2-pyridyl)amino]thiazol-5-yl]methyl]piperazin-4-ium-2-one CAS Name: 4-[[2-[(3-ethoxy-2-pyridinyl)amino]-5-thiazolyl]methyl]-2-piperazin-4-iumone IUPAC Name: 4-[[2-[(3-ethoxypyridin-2-yl)amino]-1,3-thiazol-5-yl]methyl]piperazin-4-ium-2-one Traditional Name: 4-[[2-[(3-ethoxy-2-pyridyl)amino]thiazol-5-yl]methyl]piperazin-4-ium-2-one Formula: C15H20N5O2S+ MolecularWeight: 334.4166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(N=CC=C1)NC2=NC=C(S2)C[NH+]3CCNC(=O)C3

Isomeric SMILES

CCOC1=C(N=CC=C1)NC2=NC=C(S2)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C15H19N5O2S/c1-2-22-12-4-3-5-17-14(12)19-15-18-8-11(23-15)9-20-7-6-16-13(21)10-20/h3-5,8H,2,6-7,9-10H2,1H3,(H,16,21)(H,17,18,19)/p+1