(2R)-2-ethoxy-5-(5-nitropyridin-2-yl)-1,2,3,4-tetrahydro-1,3,5-benzotriazepin-3-ium

Systemtic Name: (2R)-2-ethoxy-5-(5-nitropyridin-2-yl)-1,2,3,4-tetrahydro-1,3,5-benzotriazepin-3-ium Openeye Name: (2R)-2-ethoxy-5-(5-nitro-2-pyridyl)-1,2,3,4-tetrahydro-1,3,5-benzotriazepin-3-ium CAS Name: (2R)-2-ethoxy-5-(5-nitro-2-pyridinyl)-1,2,3,4-tetrahydro-1,3,5-benzotriazepin-3-ium IUPAC Name: (2R)-2-ethoxy-5-(5-nitropyridin-2-yl)-1,2,3,4-tetrahydro-1,3,5-benzotriazepin-3-ium Traditional Name: (2R)-2-ethoxy-5-(5-nitro-2-pyridyl)-1,2,3,4-tetrahydro-1,3,5-benzotriazepin-3-ium Formula: C15H18N5O3+ MolecularWeight: 316.33512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1[NH2+]CN(C2=CC=CC=C2N1)C3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCO[C@H]1[NH2+]CN(C2=CC=CC=C2N1)C3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O3/c1-2-23-15-17-10-19(13-6-4-3-5-12(13)18-15)14-8-7-11(9-16-14)20(21)22/h3-9,15,17-18H,2,10H2,1H3/p+1/t15-/m0/s1