5-[(1S)-1-(benzotriazol-1-yl)-2-methyl-propyl]-3-methyl-pyridin-1-ium-2-amine

Systemtic Name: 5-[(1S)-1-(benzotriazol-1-yl)-2-methyl-propyl]-3-methyl-pyridin-1-ium-2-amine Openeye Name: 5-[(1S)-1-(benzotriazol-1-yl)-2-methyl-propyl]-3-methyl-pyridin-1-ium-2-amine CAS Name: 5-[(1S)-1-(1-benzotriazolyl)-2-methylpropyl]-3-methyl-2-pyridin-1-iumamine IUPAC Name: 5-[(1S)-1-(benzotriazol-1-yl)-2-methylpropyl]-3-methylpyridin-1-ium-2-amine Traditional Name: [5-[(1S)-1-(benzotriazol-1-yl)-2-methyl-propyl]-3-methyl-pyridin-1-ium-2-yl]amine Formula: C16H20N5+ MolecularWeight: 282.3635

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([NH+]=CC(=C1)C(C(C)C)N2C3=CC=CC=C3N=N2)N

Isomeric SMILES

CC1=C([NH+]=CC(=C1)[C@H](C(C)C)N2C3=CC=CC=C3N=N2)N

InChI

InChI=1S/C16H19N5/c1-10(2)15(12-8-11(3)16(17)18-9-12)21-14-7-5-4-6-13(14)19-20-21/h4-10,15H,1-3H3,(H2,17,18)/p+1/t15-/m0/s1