(2Z)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-cyclopentyloxyimino-ethanoic acid; 1-methyl-1-prop-2-enyl-pyrrolidin-1-ium

Systemtic Name: (2Z)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-cyclopentyloxyimino-ethanoic acid; 1-methyl-1-prop-2-enyl-pyrrolidin-1-ium Openeye Name: 1-allyl-1-methyl-pyrrolidin-1-ium; (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(cyclopentoxyimino)acetic acid CAS Name: (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-cyclopentyloxyiminoacetic acid; 1-methyl-1-prop-2-enylpyrrolidin-1-ium IUPAC Name: (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-cyclopentyloxyiminoacetic acid; 1-methyl-1-prop-2-enylpyrrolidin-1-ium Traditional Name: 1-allyl-1-methyl-pyrrolidin-1-ium; (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-cyclopentyloximino-acetic acid Formula: C17H28N5O3S+ MolecularWeight: 382.50092

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CC=C.C1CCC(C1)ON=C(C2=NSC(=N2)N)C(=O)O

Isomeric SMILES

C[N+]1(CCCC1)CC=C.C1CCC(C1)O/N=C(/C2=NSC(=N2)N)\C(=O)O

InChI

InChI=1S/C9H12N4O3S.C8H16N/c10-9-11-7(13-17-9)6(8(14)15)12-16-5-3-1-2-4-5;1-3-6-9(2)7-4-5-8-9/h5H,1-4H2,(H,14,15)(H2,10,11,13);3H,1,4-8H2,2H3/q;+1/b12-6-;