1-[4-[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]carbonyl-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-[4-[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]carbonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-[4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzoyl]-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-[oxo-[4-[(1-phenethyl-4-piperidin-1-iumyl)oxy]phenyl]methyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-[4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzoyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-[4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzoyl]-1,4-diazepan-1-yl]ethanone Formula: C27H36N3O3+ MolecularWeight: 450.59304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CCCN(CC1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C27H35N3O3/c1-22(31)29-15-5-16-30(21-20-29)27(32)24-8-10-25(11-9-24)33-26-13-18-28(19-14-26)17-12-23-6-3-2-4-7-23/h2-4,6-11,26H,5,12-21H2,1H3/p+1