(4-propan-2-yloxyphenyl)-[(2S)-2-(2-pyrrolidin-1-ium-1-ylethyl)piperidin-1-yl]methanone

Systemtic Name: (4-propan-2-yloxyphenyl)-[(2S)-2-(2-pyrrolidin-1-ium-1-ylethyl)piperidin-1-yl]methanone Openeye Name: (4-isopropoxyphenyl)-[(2S)-2-(2-pyrrolidin-1-ium-1-ylethyl)-1-piperidyl]methanone CAS Name: (4-propan-2-yloxyphenyl)-[(2S)-2-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperidinyl]methanone IUPAC Name: (4-propan-2-yloxyphenyl)-[(2S)-2-(2-pyrrolidin-1-ium-1-ylethyl)piperidin-1-yl]methanone Traditional Name: (4-isopropoxyphenyl)-[(2S)-2-(2-pyrrolidin-1-ium-1-ylethyl)piperidino]methanone Formula: C21H33N2O2+ MolecularWeight: 345.49892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)N2CCCCC2CC[NH+]3CCCC3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)N2CCCC[C@H]2CC[NH+]3CCCC3

InChI

InChI=1S/C21H32N2O2/c1-17(2)25-20-10-8-18(9-11-20)21(24)23-15-4-3-7-19(23)12-16-22-13-5-6-14-22/h8-11,17,19H,3-7,12-16H2,1-2H3/p+1/t19-/m0/s1