(2S)-1-(3-butylimidazol-1-ium-1-yl)-4-methyl-pentan-2-amine

Systemtic Name: (2S)-1-(3-butylimidazol-1-ium-1-yl)-4-methyl-pentan-2-amine Openeye Name: (2S)-1-(3-butylimidazol-1-ium-1-yl)-4-methyl-pentan-2-amine CAS Name: (2S)-1-(3-butyl-1-imidazol-1-iumyl)-4-methyl-2-pentanamine IUPAC Name: (2S)-1-(3-butylimidazol-1-ium-1-yl)-4-methylpentan-2-amine Traditional Name: [(1S)-1-[(3-butylimidazol-1-ium-1-yl)methyl]-3-methyl-butyl]amine Formula: C13H26N3+ MolecularWeight: 224.36564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C[N+](=C1)CC(CC(C)C)N

Isomeric SMILES

CCCCN1C=C[N+](=C1)C[C@H](CC(C)C)N

InChI

InChI=1S/C13H26N3/c1-4-5-6-15-7-8-16(11-15)10-13(14)9-12(2)3/h7-8,11-13H,4-6,9-10,14H2,1-3H3/q+1/t13-/m0/s1