(3S,4S)-3-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)heptan-4-amine

Systemtic Name: (3S,4S)-3-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)heptan-4-amine Openeye Name: (3S,4S)-3-(2-isopropyl-1H-imidazol-3-ium-3-yl)heptan-4-amine CAS Name: (3S,4S)-3-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)-4-heptanamine IUPAC Name: (3S,4S)-3-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)heptan-4-amine Traditional Name: [(1S,2S)-2-(2-isopropyl-1H-imidazol-3-ium-3-yl)-1-propyl-butyl]amine Formula: C13H26N3+ MolecularWeight: 224.36564

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC)[N+]1=C(NC=C1)C(C)C)N

Isomeric SMILES

CCC[C@@H]([C@H](CC)[N+]1=C(NC=C1)C(C)C)N

InChI

InChI=1S/C13H25N3/c1-5-7-11(14)12(6-2)16-9-8-15-13(16)10(3)4/h8-12H,5-7,14H2,1-4H3/p+1/t11-,12-/m0/s1