[2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-5-methoxy-phenyl]-[(3R)-3,4-dimethylpiperazin-4-ium-1-yl]methanone

Systemtic Name: [2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-5-methoxy-phenyl]-[(3R)-3,4-dimethylpiperazin-4-ium-1-yl]methanone Openeye Name: [2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-5-methoxy-phenyl]-[(3R)-3,4-dimethylpiperazin-4-ium-1-yl]methanone CAS Name: [2-[(1-cyclopentyl-4-piperidin-1-iumyl)oxy]-5-methoxyphenyl]-[(3R)-3,4-dimethyl-1-piperazin-4-iumyl]methanone IUPAC Name: [2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-5-methoxyphenyl]-[(3R)-3,4-dimethylpiperazin-4-ium-1-yl]methanone Traditional Name: [2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-5-methoxy-phenyl]-[(3R)-3,4-dimethylpiperazin-4-ium-1-yl]methanone Formula: C24H39N3O3+2 MolecularWeight: 417.58476

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH+]1C)C(=O)C2=C(C=CC(=C2)OC)OC3CC[NH+](CC3)C4CCCC4

Isomeric SMILES

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

InChI

InChI=1S/C24H37N3O3/c1-18-17-27(15-14-25(18)2)24(28)22-16-21(29-3)8-9-23(22)30-20-10-12-26(13-11-20)19-6-4-5-7-19/h8-9,16,18-20H,4-7,10-15,17H2,1-3H3/p+2/t18-/m1/s1