N-[(R)-benzotriazol-1-yl(phenyl)methyl]pyridin-1-ium-2-amine

Systemtic Name: N-[(R)-benzotriazol-1-yl(phenyl)methyl]pyridin-1-ium-2-amine Openeye Name: N-[(R)-benzotriazol-1-yl(phenyl)methyl]pyridin-1-ium-2-amine CAS Name: N-[(R)-1-benzotriazolyl(phenyl)methyl]-2-pyridin-1-iumamine IUPAC Name: N-[(R)-benzotriazol-1-yl(phenyl)methyl]pyridin-1-ium-2-amine Traditional Name: [(R)-benzotriazol-1-yl(phenyl)methyl]-pyridin-1-ium-2-yl-amine Formula: C18H16N5+ MolecularWeight: 302.35314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(NC2=CC=CC=[NH+]2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C(C=C1)[C@H](NC2=CC=CC=[NH+]2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H15N5/c1-2-8-14(9-3-1)18(20-17-12-6-7-13-19-17)23-16-11-5-4-10-15(16)21-22-23/h1-13,18H,(H,19,20)/p+1/t18-/m1/s1