2-[(3S)-heptan-3-yl]-3H-benzimidazol-1-ium-5-amine

Systemtic Name: 2-[(3S)-heptan-3-yl]-3H-benzimidazol-1-ium-5-amine Openeye Name: 2-[(1S)-1-ethylpentyl]-3H-benzimidazol-1-ium-5-amine CAS Name: 2-[(3S)-heptan-3-yl]-3H-benzimidazol-1-ium-5-amine IUPAC Name: 2-[(3S)-heptan-3-yl]-3H-benzimidazol-1-ium-5-amine Traditional Name: [2-[(1S)-1-ethylpentyl]-3H-benzimidazol-1-ium-5-yl]amine Formula: C14H22N3+ MolecularWeight: 232.34458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C1=[NH+]C2=C(N1)C=C(C=C2)N

Isomeric SMILES

CCCC[C@H](CC)C1=[NH+]C2=C(N1)C=C(C=C2)N

InChI

InChI=1S/C14H21N3/c1-3-5-6-10(4-2)14-16-12-8-7-11(15)9-13(12)17-14/h7-10H,3-6,15H2,1-2H3,(H,16,17)/p+1/t10-/m0/s1