[4-[1-[(2S)-1-(2-methoxyphenyl)propan-2-yl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[1-[(2S)-1-(2-methoxyphenyl)propan-2-yl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[1-[(1S)-2-(2-methoxyphenyl)-1-methyl-ethyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[1-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[1-[(2S)-1-(2-methoxyphenyl)propan-2-yl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[1-[(1S)-2-(2-methoxyphenyl)-1-methyl-ethyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidino-methanone Formula: C26H35N2O3+ MolecularWeight: 423.5677

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1OC)[NH+]2CCC(CC2)OC3=CC=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

C[C@@H](CC1=CC=CC=C1OC)[NH+]2CCC(CC2)OC3=CC=C(C=C3)C(=O)N4CCCC4

InChI

InChI=1S/C26H34N2O3/c1-20(19-22-7-3-4-8-25(22)30-2)27-17-13-24(14-18-27)31-23-11-9-21(10-12-23)26(29)28-15-5-6-16-28/h3-4,7-12,20,24H,5-6,13-19H2,1-2H3/p+1/t20-/m0/s1