2,3,7,8,9,10-hexahydro-1H-pyrido[1,2-a][1,3]diazepin-10a-yl(methyl)azanium sulfate

Systemtic Name: 2,3,7,8,9,10-hexahydro-1H-pyrido[1,2-a][1,3]diazepin-10a-yl(methyl)azanium sulfate Openeye Name: 2,3,7,8,9,10-hexahydro-1H-pyrido[1,2-a][1,3]diazepin-10a-yl(methyl)ammonium sulfate CAS Name: 2,3,7,8,9,10-hexahydro-1H-pyrido[1,2-a][1,3]diazepin-10a-yl(methyl)ammonium sulfate IUPAC Name: 2,3,7,8,9,10-hexahydro-1H-pyrido[1,2-a][1,3]diazepin-10a-yl(methyl)azanium sulfate Traditional Name: 2,3,7,8,9,10-hexahydro-1H-pyrido[1,2-a][1,3]diazepin-10a-yl(methyl)ammonium sulfate Formula: C20H40N6O4S MolecularWeight: 460.6344

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C12CCCCN1C=CCCN2.C[NH2+]C12CCCCN1C=CCCN2.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C[NH2+]C12CCCCN1C=CCCN2.C[NH2+]C12CCCCN1C=CCCN2.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C10H19N3.H2O4S/c2*1-11-10-6-2-4-8-13(10)9-5-3-7-12-10;1-5(2,3)4/h2*5,9,11-12H,2-4,6-8H2,1H3;(H2,1,2,3,4)