azepan-1-ium-1-ylidenemethanediamine sulfate

Systemtic Name: azepan-1-ium-1-ylidenemethanediamine sulfate Openeye Name: azepan-1-ium-1-ylidenemethanediamine sulfate CAS Name: 1-azepan-1-iumylidenemethanediamine sulfate IUPAC Name: azepan-1-ium-1-ylidenemethanediamine sulfate Traditional Name: [amino(azepan-1-ium-1-ylidene)methyl]amine sulfate Formula: C14H32N6O4S MolecularWeight: 380.50668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[N+](=C(N)N)CC1.C1CCC[N+](=C(N)N)CC1.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1CCC[N+](=C(N)N)CC1.C1CCC[N+](=C(N)N)CC1.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C7H15N3.H2O4S/c2*8-7(9)10-5-3-1-2-4-6-10;1-5(2,3)4/h2*1-6H2,(H3,8,9);(H2,1,2,3,4)