1-[(3S)-1-[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]carbonylpiperidin-3-yl]propan-1-one

Systemtic Name: 1-[(3S)-1-[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]carbonylpiperidin-3-yl]propan-1-one Openeye Name: 1-[(3S)-1-[4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzoyl]-3-piperidyl]propan-1-one CAS Name: 1-[(3S)-1-[oxo-[4-[(1-phenethyl-4-piperidin-1-iumyl)oxy]phenyl]methyl]-3-piperidinyl]-1-propanone IUPAC Name: 1-[(3S)-1-[4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzoyl]piperidin-3-yl]propan-1-one Traditional Name: 1-[(3S)-1-[4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzoyl]-3-piperidyl]propan-1-one Formula: C28H37N2O3+ MolecularWeight: 449.60498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

CCC(=O)[C@H]1CCCN(C1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C28H36N2O3/c1-2-27(31)24-9-6-17-30(21-24)28(32)23-10-12-25(13-11-23)33-26-15-19-29(20-16-26)18-14-22-7-4-3-5-8-22/h3-5,7-8,10-13,24,26H,2,6,9,14-21H2,1H3/p+1/t24-/m0/s1