[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone

Systemtic Name: [4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone Openeye Name: [4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]-[(3S)-3-propoxy-1-piperidyl]methanone CAS Name: [4-[(1-phenethyl-4-piperidin-1-iumyl)oxy]phenyl]-[(3S)-3-propoxy-1-piperidinyl]methanone IUPAC Name: [4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone Traditional Name: [4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]-[(3S)-3-propoxypiperidino]methanone Formula: C28H39N2O3+ MolecularWeight: 451.62086

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1CCCN(C1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H38N2O3/c1-2-21-32-27-9-6-17-30(22-27)28(31)24-10-12-25(13-11-24)33-26-15-19-29(20-16-26)18-14-23-7-4-3-5-8-23/h3-5,7-8,10-13,26-27H,2,6,9,14-22H2,1H3/p+1/t27-/m0/s1