5-[(1S)-1-(benzotriazol-1-yl)-4-methyl-pentyl]-3-methyl-pyridin-1-ium-2-amine

Systemtic Name: 5-[(1S)-1-(benzotriazol-1-yl)-4-methyl-pentyl]-3-methyl-pyridin-1-ium-2-amine Openeye Name: 5-[(1S)-1-(benzotriazol-1-yl)-4-methyl-pentyl]-3-methyl-pyridin-1-ium-2-amine CAS Name: 5-[(1S)-1-(1-benzotriazolyl)-4-methylpentyl]-3-methyl-2-pyridin-1-iumamine IUPAC Name: 5-[(1S)-1-(benzotriazol-1-yl)-4-methylpentyl]-3-methylpyridin-1-ium-2-amine Traditional Name: [5-[(1S)-1-(benzotriazol-1-yl)-4-methyl-pentyl]-3-methyl-pyridin-1-ium-2-yl]amine Formula: C18H24N5+ MolecularWeight: 310.41666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5/c1-12(2)8-9-16(14-10-13(3)18(19)20-11-14)23-17-7-5-4-6-15(17)21-22-23/h4-7,10-12,16H,8-9H2,1-3H3,(H2,19,20)/p+1/t16-/m0/s1