3-[1-[[(4S)-2,2-dimethyloxan-4-yl]methyl]piperidin-1-ium-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[1-[[(4S)-2,2-dimethyloxan-4-yl]methyl]piperidin-1-ium-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one Openeye Name: 3-[1-[[(4S)-2,2-dimethyltetrahydropyran-4-yl]methyl]piperidin-1-ium-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one CAS Name: 3-[1-[[(4S)-2,2-dimethyl-4-oxanyl]methyl]-4-piperidin-1-iumyl]-1-(4-ethyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[1-[[(4S)-2,2-dimethyloxan-4-yl]methyl]piperidin-1-ium-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one Traditional Name: 3-[1-[[(4S)-2,2-dimethyltetrahydropyran-4-yl]methyl]piperidin-1-ium-4-yl]-1-(4-ethylpiperazino)propan-1-one Formula: C22H42N3O2+ MolecularWeight: 380.58778

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CCC2CC[NH+](CC2)CC3CCOC(C3)(C)C

Isomeric SMILES

CCN1CCN(CC1)C(=O)CCC2CC[NH+](CC2)C[C@H]3CCOC(C3)(C)C

InChI

InChI=1S/C22H41N3O2/c1-4-23-12-14-25(15-13-23)21(26)6-5-19-7-10-24(11-8-19)18-20-9-16-27-22(2,3)17-20/h19-20H,4-18H2,1-3H3/p+1/t20-/m0/s1