2-[[3-[1-[(2S)-1-methoxypropan-2-yl]piperidin-1-ium-4-yl]oxyphenyl]carbonyl-methyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-[1-[(2S)-1-methoxypropan-2-yl]piperidin-1-ium-4-yl]oxyphenyl]carbonyl-methyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-[1-[(1S)-2-methoxy-1-methyl-ethyl]piperidin-1-ium-4-yl]oxybenzoyl]-methyl-amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-[[1-[(2S)-1-methoxypropan-2-yl]-4-piperidin-1-iumyl]oxy]phenyl]-oxomethyl]-methylamino]ethyl-dimethylammonium IUPAC Name: 2-[[3-[1-[(2S)-1-methoxypropan-2-yl]piperidin-1-ium-4-yl]oxybenzoyl]-methylamino]ethyl-dimethylazanium Traditional Name: 2-[[3-[1-[(1S)-2-methoxy-1-methyl-ethyl]piperidin-1-ium-4-yl]oxybenzoyl]-methyl-amino]ethyl-dimethyl-ammonium Formula: C21H37N3O3+2 MolecularWeight: 379.53678

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)[NH+]1CCC(CC1)OC2=CC=CC(=C2)C(=O)N(C)CC[NH+](C)C

Isomeric SMILES

C[C@@H](COC)[NH+]1CCC(CC1)OC2=CC=CC(=C2)C(=O)N(C)CC[NH+](C)C

InChI

InChI=1S/C21H35N3O3/c1-17(16-26-5)24-11-9-19(10-12-24)27-20-8-6-7-18(15-20)21(25)23(4)14-13-22(2)3/h6-8,15,17,19H,9-14,16H2,1-5H3/p+2/t17-/m0/s1