butyl-[(1S,4R,5S)-2,2,3,3-tetracyano-5-ethyl-4-propyl-cyclopentyl]azanium

Systemtic Name: butyl-[(1S,4R,5S)-2,2,3,3-tetracyano-5-ethyl-4-propyl-cyclopentyl]azanium Openeye Name: butyl-[(1S,4R,5S)-2,2,3,3-tetracyano-5-ethyl-4-propyl-cyclopentyl]ammonium CAS Name: butyl-[(1S,4R,5S)-2,2,3,3-tetracyano-5-ethyl-4-propylcyclopentyl]ammonium IUPAC Name: butyl-[(1S,4R,5S)-2,2,3,3-tetracyano-5-ethyl-4-propylcyclopentyl]azanium Traditional Name: butyl-[(1S,4R,5S)-2,2,3,3-tetracyano-5-ethyl-4-propyl-cyclopentyl]ammonium Formula: C18H26N5+ MolecularWeight: 312.43254

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]C1C(C(C(C1(C#N)C#N)(C#N)C#N)CCC)CC

Isomeric SMILES

CCCC[NH2+][C@H]1[C@H]([C@H](C(C1(C#N)C#N)(C#N)C#N)CCC)CC

InChI

InChI=1S/C18H25N5/c1-4-7-9-23-16-14(6-3)15(8-5-2)17(10-19,11-20)18(16,12-21)13-22/h14-16,23H,4-9H2,1-3H3/p+1/t14-,15+,16-/m0/s1