[(2S)-2-(2-piperidin-1-ium-1-ylethyl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: [(2S)-2-(2-piperidin-1-ium-1-ylethyl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [(2S)-2-(2-piperidin-1-ium-1-ylethyl)-1-piperidyl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [(2S)-2-[2-(1-piperidin-1-iumyl)ethyl]-1-piperidinyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [(2S)-2-(2-piperidin-1-ium-1-ylethyl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [(2S)-2-(2-piperidin-1-ium-1-ylethyl)piperidino]-(3,4,5-trimethoxyphenyl)methanone Formula: C22H35N2O4+ MolecularWeight: 391.5243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCCCC2CC[NH+]3CCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCCC[C@H]2CC[NH+]3CCCCC3

InChI

InChI=1S/C22H34N2O4/c1-26-19-15-17(16-20(27-2)21(19)28-3)22(25)24-13-8-5-9-18(24)10-14-23-11-6-4-7-12-23/h15-16,18H,4-14H2,1-3H3/p+1/t18-/m0/s1