2-(4-aminocarbonylpiperidin-1-ium-1-yl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethanimidate

Systemtic Name: 2-(4-aminocarbonylpiperidin-1-ium-1-yl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethanimidate Openeye Name: 2-(4-carbamoylpiperidin-1-ium-1-yl)-N-[4-(3-nitrophenyl)thiazol-2-yl]ethanimidate CAS Name: 2-(4-carbamoyl-1-piperidin-1-iumyl)-N-[4-(3-nitrophenyl)-2-thiazolyl]ethanimidate IUPAC Name: 2-(4-carbamoylpiperidin-1-ium-1-yl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethanimidate Traditional Name: 2-(4-carbamoylpiperidin-1-ium-1-yl)-N-[4-(3-nitrophenyl)thiazol-2-yl]acetimidate Formula: C17H19N5O4S MolecularWeight: 389.42886

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CC(=NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CC(=NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H19N5O4S/c18-16(24)11-4-6-21(7-5-11)9-15(23)20-17-19-14(10-27-17)12-2-1-3-13(8-12)22(25)26/h1-3,8,10-11H,4-7,9H2,(H2,18,24)(H,19,20,23)