(1S)-1-(benzotriazol-1-yl)-2-methyl-N-(piperidin-1-ium-1-ylidenemethyl)propan-1-amine

Systemtic Name: (1S)-1-(benzotriazol-1-yl)-2-methyl-N-(piperidin-1-ium-1-ylidenemethyl)propan-1-amine Openeye Name: (1S)-1-(benzotriazol-1-yl)-2-methyl-N-(piperidin-1-ium-1-ylidenemethyl)propan-1-amine CAS Name: (1S)-1-(1-benzotriazolyl)-2-methyl-N-(1-piperidin-1-iumylidenemethyl)-1-propanamine IUPAC Name: (1S)-1-(benzotriazol-1-yl)-2-methyl-N-(piperidin-1-ium-1-ylidenemethyl)propan-1-amine Traditional Name: [(1S)-1-(benzotriazol-1-yl)-2-methyl-propyl]-(piperidin-1-ium-1-ylidenemethyl)amine Formula: C16H24N5+ MolecularWeight: 286.39526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(NC=[N+]1CCCCC1)N2C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C)[C@@H](NC=[N+]1CCCCC1)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H23N5/c1-13(2)16(17-12-20-10-6-3-7-11-20)21-15-9-5-4-8-14(15)18-19-21/h4-5,8-9,12-13,16H,3,6-7,10-11H2,1-2H3/p+1/t16-/m0/s1