diethyl-[(3S)-1-[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]carbonylpyrrolidin-3-yl]azanium

Systemtic Name: diethyl-[(3S)-1-[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]carbonylpyrrolidin-3-yl]azanium Openeye Name: diethyl-[(3S)-1-[4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzoyl]pyrrolidin-3-yl]ammonium CAS Name: diethyl-[(3S)-1-[oxo-[4-[(1-phenethyl-4-piperidin-1-iumyl)oxy]phenyl]methyl]-3-pyrrolidinyl]ammonium IUPAC Name: diethyl-[(3S)-1-[4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzoyl]pyrrolidin-3-yl]azanium Traditional Name: diethyl-[(3S)-1-[4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzoyl]pyrrolidin-3-yl]ammonium Formula: C28H41N3O2+2 MolecularWeight: 451.64404

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C1CCN(C1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H39N3O2/c1-3-30(4-2)25-15-21-31(22-25)28(32)24-10-12-26(13-11-24)33-27-16-19-29(20-17-27)18-14-23-8-6-5-7-9-23/h5-13,25,27H,3-4,14-22H2,1-2H3/p+2/t25-/m0/s1