3-[1-[(2S)-1-(4-methoxyphenyl)propan-2-yl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-[1-[(2S)-1-(4-methoxyphenyl)propan-2-yl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[1-[(1S)-2-(4-methoxyphenyl)-1-methyl-ethyl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[1-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-4-piperidin-1-iumyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[1-[(2S)-1-(4-methoxyphenyl)propan-2-yl]piperidin-1-ium-4-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[1-[(1S)-2-(4-methoxyphenyl)-1-methyl-ethyl]piperidin-1-ium-4-yl]-1-pyrrolidino-propan-1-one Formula: C22H35N2O2+ MolecularWeight: 359.5255

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)OC)[NH+]2CCC(CC2)CCC(=O)N3CCCC3

Isomeric SMILES

C[C@@H](CC1=CC=C(C=C1)OC)[NH+]2CCC(CC2)CCC(=O)N3CCCC3

InChI

InChI=1S/C22H34N2O2/c1-18(17-20-5-8-21(26-2)9-6-20)23-15-11-19(12-16-23)7-10-22(25)24-13-3-4-14-24/h5-6,8-9,18-19H,3-4,7,10-17H2,1-2H3/p+1/t18-/m0/s1