(3S)-1-ethyl-3-methyl-4-[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]carbonyl-piperazin-2-one

Systemtic Name: (3S)-1-ethyl-3-methyl-4-[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]carbonyl-piperazin-2-one Openeye Name: (3S)-1-ethyl-3-methyl-4-[4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzoyl]piperazin-2-one CAS Name: (3S)-1-ethyl-3-methyl-4-[oxo-[4-[(1-phenethyl-4-piperidin-1-iumyl)oxy]phenyl]methyl]-2-piperazinone IUPAC Name: (3S)-1-ethyl-3-methyl-4-[4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzoyl]piperazin-2-one Traditional Name: (3S)-1-ethyl-3-methyl-4-[4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzoyl]piperazin-2-one Formula: C27H36N3O3+ MolecularWeight: 450.59304

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(C(C1=O)C)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

CCN1CCN([C@H](C1=O)C)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C27H35N3O3/c1-3-29-19-20-30(21(2)26(29)31)27(32)23-9-11-24(12-10-23)33-25-14-17-28(18-15-25)16-13-22-7-5-4-6-8-22/h4-12,21,25H,3,13-20H2,1-2H3/p+1/t21-/m0/s1