[(3S)-3-morpholin-4-ium-4-ylpiperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone

Systemtic Name: [(3S)-3-morpholin-4-ium-4-ylpiperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone Openeye Name: [(3S)-3-morpholin-4-ium-4-yl-1-piperidyl]-(2,3,4-trimethoxyphenyl)methanone CAS Name: [(3S)-3-(4-morpholin-4-iumyl)-1-piperidinyl]-(2,3,4-trimethoxyphenyl)methanone IUPAC Name: [(3S)-3-morpholin-4-ium-4-ylpiperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone Traditional Name: [(3S)-3-morpholin-4-ium-4-ylpiperidino]-(2,3,4-trimethoxyphenyl)methanone Formula: C19H29N2O5+ MolecularWeight: 365.44396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)N2CCCC(C2)[NH+]3CCOCC3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)N2CCC[C@@H](C2)[NH+]3CCOCC3)OC)OC

InChI

InChI=1S/C19H28N2O5/c1-23-16-7-6-15(17(24-2)18(16)25-3)19(22)21-8-4-5-14(13-21)20-9-11-26-12-10-20/h6-7,14H,4-5,8-13H2,1-3H3/p+1/t14-/m0/s1