N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]-3-(3-nitro-1,2,4-triazol-1-yl)propanamide

Systemtic Name: N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]-3-(3-nitro-1,2,4-triazol-1-yl)propanamide Openeye Name: N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]-3-(3-nitro-1,2,4-triazol-1-yl)propanamide CAS Name: N-[(1-ethyl-4-piperidin-1-iumylidene)amino]-3-(3-nitro-1,2,4-triazol-1-yl)propanamide IUPAC Name: N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]-3-(3-nitro-1,2,4-triazol-1-yl)propanamide Traditional Name: N-[(1-ethylpiperidin-1-ium-4-ylidene)amino]-3-(3-nitro-1,2,4-triazol-1-yl)propionamide Formula: C12H20N7O3+ MolecularWeight: 310.3323

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(=NNC(=O)CCN2C=NC(=N2)[N+](=O)[O-])CC1

Isomeric SMILES

CC[NH+]1CCC(=NNC(=O)CCN2C=NC(=N2)[N+](=O)[O-])CC1

InChI

InChI=1S/C12H19N7O3/c1-2-17-6-3-10(4-7-17)14-15-11(20)5-8-18-9-13-12(16-18)19(21)22/h9H,2-8H2,1H3,(H,15,20)/p+1