4-(diphenylmethyl)pyridin-1-ium-1-amine; 2,4,6-trimethylbenzenesulfonate

Systemtic Name: 4-(diphenylmethyl)pyridin-1-ium-1-amine; 2,4,6-trimethylbenzenesulfonate Openeye Name: 4-benzhydrylpyridin-1-ium-1-amine; 2,4,6-trimethylbenzenesulfonate CAS Name: 4-(diphenylmethyl)-1-pyridin-1-iumamine; 2,4,6-trimethylbenzenesulfonate IUPAC Name: 4-benzhydrylpyridin-1-ium-1-amine; 2,4,6-trimethylbenzenesulfonate Traditional Name: (4-benzhydrylpyridin-1-ium-1-yl)amine; 2,4,6-trimethylbesylate Formula: C27H28N2O3S MolecularWeight: 460.58782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=[N+](C=C3)N

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=[N+](C=C3)N

InChI

InChI=1S/C18H17N2.C9H12O3S/c19-20-13-11-17(12-14-20)18(15-7-3-1-4-8-15)16-9-5-2-6-10-16;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h1-14,18H,19H2;4-5H,1-3H3,(H,10,11,12)/q+1;/p-1