(1,4-dimethyl-1-phenethyl-piperidin-1-ium-4-yl)-ethanoyl-methoxycarbonyl-phenyl-azanium

Systemtic Name: (1,4-dimethyl-1-phenethyl-piperidin-1-ium-4-yl)-ethanoyl-methoxycarbonyl-phenyl-azanium Openeye Name: acetyl-(1,4-dimethyl-1-phenethyl-piperidin-1-ium-4-yl)-methoxycarbonyl-phenyl-ammonium CAS Name: acetyl-(1,4-dimethyl-1-phenethyl-4-piperidin-1-iumyl)-methoxycarbonyl-phenylammonium IUPAC Name: acetyl-(1,4-dimethyl-1-phenethylpiperidin-1-ium-4-yl)-methoxycarbonyl-phenylazanium Traditional Name: acetyl-carbomethoxy-(1,4-dimethyl-1-phenethyl-piperidin-1-ium-4-yl)-phenyl-ammonium Formula: C25H34N2O3+2 MolecularWeight: 410.54906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[N+](C1=CC=CC=C1)(C(=O)OC)C2(CC[N+](CC2)(C)CCC3=CC=CC=C3)C

Isomeric SMILES

CC(=O)[N+](C1=CC=CC=C1)(C(=O)OC)C2(CC[N+](CC2)(C)CCC3=CC=CC=C3)C

InChI

InChI=1S/C25H34N2O3/c1-21(28)27(24(29)30-4,23-13-9-6-10-14-23)25(2)16-19-26(3,20-17-25)18-15-22-11-7-5-8-12-22/h5-14H,15-20H2,1-4H3/q+2