1-(benzotriazol-1-yl)-N-(3-nitrophenyl)-2-piperidin-1-ium-1-yl-ethanimine

Systemtic Name: 1-(benzotriazol-1-yl)-N-(3-nitrophenyl)-2-piperidin-1-ium-1-yl-ethanimine Openeye Name: 1-(benzotriazol-1-yl)-N-(3-nitrophenyl)-2-piperidin-1-ium-1-yl-ethanimine CAS Name: 1-(1-benzotriazolyl)-N-(3-nitrophenyl)-2-(1-piperidin-1-iumyl)ethanimine IUPAC Name: 1-(benzotriazol-1-yl)-N-(3-nitrophenyl)-2-piperidin-1-ium-1-ylethanimine Traditional Name: [1-(benzotriazol-1-yl)-2-piperidin-1-ium-1-yl-ethylidene]-(3-nitrophenyl)amine Formula: C19H21N6O2+ MolecularWeight: 365.40904

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=NC2=CC(=CC=C2)[N+](=O)[O-])N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CC[NH+](CC1)CC(=NC2=CC(=CC=C2)[N+](=O)[O-])N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C19H20N6O2/c26-25(27)16-8-6-7-15(13-16)20-19(14-23-11-4-1-5-12-23)24-18-10-3-2-9-17(18)21-22-24/h2-3,6-10,13H,1,4-5,11-12,14H2/p+1