(4-tert-butylphenyl)methyl-methyl-[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethyl]azanium

Systemtic Name: (4-tert-butylphenyl)methyl-methyl-[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethyl]azanium Openeye Name: [2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxo-ethyl]-[(4-tert-butylphenyl)methyl]-methyl-ammonium CAS Name: (4-tert-butylphenyl)methyl-methyl-[2-oxo-2-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]ethyl]ammonium IUPAC Name: [2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-[(4-tert-butylphenyl)methyl]-methylazanium Traditional Name: [2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-keto-ethyl]-(4-tert-butylbenzyl)-methyl-ammonium Formula: C26H39N3O+2 MolecularWeight: 409.60736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C[NH+](C)CC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[NH+](C)CC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C26H37N3O/c1-26(2,3)23-12-10-22(11-13-23)18-28(4)20-25(30)27-24-14-16-29(17-15-24)19-21-8-6-5-7-9-21/h5-13,24H,14-20H2,1-4H3,(H,27,30)/p+2