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

Systemtic Name: 2-[[3-[1-[(2S)-1-ethylpiperidin-1-ium-2-yl]carbonylpiperidin-4-yl]oxyphenyl]carbonyl-methyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[[3-[[1-[(2S)-1-ethylpiperidin-1-ium-2-carbonyl]-4-piperidyl]oxy]benzoyl]-methyl-amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[3-[[1-[[(2S)-1-ethyl-2-piperidin-1-iumyl]-oxomethyl]-4-piperidinyl]oxy]phenyl]-oxomethyl]-methylamino]ethyl-dimethylammonium IUPAC Name: 2-[[3-[1-[(2S)-1-ethylpiperidin-1-ium-2-carbonyl]piperidin-4-yl]oxybenzoyl]-methylamino]ethyl-dimethylazanium Traditional Name: 2-[[3-[[1-[(2S)-1-ethylpiperidin-1-ium-2-carbonyl]-4-piperidyl]oxy]benzoyl]-methyl-amino]ethyl-dimethyl-ammonium Formula: C25H42N4O3+2 MolecularWeight: 446.62598

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCCC1C(=O)N2CCC(CC2)OC3=CC=CC(=C3)C(=O)N(C)CC[NH+](C)C

Isomeric SMILES

CC[NH+]1CCCC[C@H]1C(=O)N2CCC(CC2)OC3=CC=CC(=C3)C(=O)N(C)CC[NH+](C)C

InChI

InChI=1S/C25H40N4O3/c1-5-28-14-7-6-11-23(28)25(31)29-15-12-21(13-16-29)32-22-10-8-9-20(19-22)24(30)27(4)18-17-26(2)3/h8-10,19,21,23H,5-7,11-18H2,1-4H3/p+2/t23-/m0/s1