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

Systemtic Name: (3S,4S)-3-(2-methyl-1H-imidazol-3-ium-3-yl)heptan-4-amine Openeye Name: (3S,4S)-3-(2-methyl-1H-imidazol-3-ium-3-yl)heptan-4-amine CAS Name: (3S,4S)-3-(2-methyl-1H-imidazol-3-ium-3-yl)-4-heptanamine IUPAC Name: (3S,4S)-3-(2-methyl-1H-imidazol-3-ium-3-yl)heptan-4-amine Traditional Name: [(1S,2S)-2-(2-methyl-1H-imidazol-3-ium-3-yl)-1-propyl-butyl]amine Formula: C11H22N3+ MolecularWeight: 196.31248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H21N3/c1-4-6-10(12)11(5-2)14-8-7-13-9(14)3/h7-8,10-11H,4-6,12H2,1-3H3/p+1/t10-,11-/m0/s1