(diphenylmethyl)-methyl-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium

Systemtic Name: (diphenylmethyl)-methyl-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: benzhydryl-methyl-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: (diphenylmethyl)-methyl-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: benzhydryl-methyl-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: benzhydryl-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-methyl-ammonium Formula: C25H30N4O+2 MolecularWeight: 402.5319

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[NH+](CC(=O)N1CCN(CC1)C2=CC=CC=[NH+]2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H28N4O/c1-27(25(21-10-4-2-5-11-21)22-12-6-3-7-13-22)20-24(30)29-18-16-28(17-19-29)23-14-8-9-15-26-23/h2-15,25H,16-20H2,1H3/p+2