1-cyclopentyl-4-nitro-2,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-10-ium-3-thione

Systemtic Name: 1-cyclopentyl-4-nitro-2,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-10-ium-3-thione Openeye Name: 1-cyclopentyl-4-nitro-2,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-10-ium-3-thione CAS Name: 1-cyclopentyl-4-nitro-2,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-10-ium-3-thione IUPAC Name: 1-cyclopentyl-4-nitro-2,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-10-ium-3-thione Traditional Name: 1-cyclopentyl-4-nitro-2,5,6,7,8,9-hexahydropyrimid[1,6-a]azepin-10-ium-3-thione Formula: C14H20N3O2S+ MolecularWeight: 294.3925

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C(=S)NC(=[N+]2CC1)C3CCCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C(=S)NC(=[N+]2CC1)C3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O2S/c18-17(19)12-11-8-2-1-5-9-16(11)13(15-14(12)20)10-6-3-4-7-10/h10H,1-9H2/p+1