(3S)-4-[4-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-3-methoxy-phenyl]carbonyl-1,3-dimethyl-piperazin-2-one

Systemtic Name: (3S)-4-[4-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-3-methoxy-phenyl]carbonyl-1,3-dimethyl-piperazin-2-one Openeye Name: (3S)-4-[4-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-3-methoxy-benzoyl]-1,3-dimethyl-piperazin-2-one CAS Name: (3S)-4-[[4-[(1-cyclopentyl-4-piperidin-1-iumyl)oxy]-3-methoxyphenyl]-oxomethyl]-1,3-dimethyl-2-piperazinone IUPAC Name: (3S)-4-[4-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-3-methoxybenzoyl]-1,3-dimethylpiperazin-2-one Traditional Name: (3S)-4-[4-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-3-methoxy-benzoyl]-1,3-dimethyl-piperazin-2-one Formula: C24H36N3O4+ MolecularWeight: 430.56034

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CCN1C(=O)C2=CC(=C(C=C2)OC3CC[NH+](CC3)C4CCCC4)OC)C

Isomeric SMILES

C[C@H]1C(=O)N(CCN1C(=O)C2=CC(=C(C=C2)OC3CC[NH+](CC3)C4CCCC4)OC)C

InChI

InChI=1S/C24H35N3O4/c1-17-23(28)25(2)14-15-27(17)24(29)18-8-9-21(22(16-18)30-3)31-20-10-12-26(13-11-20)19-6-4-5-7-19/h8-9,16-17,19-20H,4-7,10-15H2,1-3H3/p+1/t17-/m0/s1