dimethyl-[2-[(5S)-2-oxidanylidene-5-[2-(4-propan-2-yloxyphenyl)ethylcarbamoyl]piperidin-1-yl]ethyl]azanium

Systemtic Name: dimethyl-[2-[(5S)-2-oxidanylidene-5-[2-(4-propan-2-yloxyphenyl)ethylcarbamoyl]piperidin-1-yl]ethyl]azanium Openeye Name: 2-[(5S)-5-[2-(4-isopropoxyphenyl)ethylcarbamoyl]-2-oxo-1-piperidyl]ethyl-dimethyl-ammonium CAS Name: dimethyl-[2-[(5S)-2-oxo-5-[oxo-[2-(4-propan-2-yloxyphenyl)ethylamino]methyl]-1-piperidinyl]ethyl]ammonium IUPAC Name: dimethyl-[2-[(5S)-2-oxo-5-[2-(4-propan-2-yloxyphenyl)ethylcarbamoyl]piperidin-1-yl]ethyl]azanium Traditional Name: 2-[(5S)-5-[2-(4-isopropoxyphenyl)ethylcarbamoyl]-2-keto-piperidino]ethyl-dimethyl-ammonium Formula: C21H34N3O3+ MolecularWeight: 376.51296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CCNC(=O)C2CCC(=O)N(C2)CC[NH+](C)C

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CCNC(=O)[C@H]2CCC(=O)N(C2)CC[NH+](C)C

InChI

InChI=1S/C21H33N3O3/c1-16(2)27-19-8-5-17(6-9-19)11-12-22-21(26)18-7-10-20(25)24(15-18)14-13-23(3)4/h5-6,8-9,16,18H,7,10-15H2,1-4H3,(H,22,26)/p+1/t18-/m0/s1