[[4-[(3-methyl-2-methylimino-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-oxidanidyl-(1-phenylethyl)azaniumyl]methanoate

Systemtic Name: [[4-[(3-methyl-2-methylimino-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-oxidanidyl-(1-phenylethyl)azaniumyl]methanoate Openeye Name: [[4-[(3-methyl-2-methylimino-thiazol-4-yl)methyl]piperazin-1-yl]-oxido-(1-phenylethyl)ammonio]formate CAS Name: [[4-[(3-methyl-2-methylimino-4-thiazolyl)methyl]-1-piperazinyl]-oxido-(1-phenylethyl)ammonio]formate IUPAC Name: [[4-[(3-methyl-2-methylimino-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-oxido-(1-phenylethyl)azaniumyl]formate Traditional Name: [[4-[(3-methyl-2-methylimino-4-thiazolin-4-yl)methyl]piperazino]-oxido-(1-phenylethyl)ammonio]formate Formula: C19H26N5O3S- MolecularWeight: 404.50644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[N+](C(=O)[O-])(N2CCN(CC2)CC3=CSC(=NC)N3C)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)[N+](C(=O)[O-])(N2CCN(CC2)CC3=CSC(=NC)N3C)[O-]

InChI

InChI=1S/C19H27N5O3S/c1-15(16-7-5-4-6-8-16)24(27,19(25)26)23-11-9-22(10-12-23)13-17-14-28-18(20-2)21(17)3/h4-8,14-15H,9-13H2,1-3H3,(H,25,26)/p-1