diethyl-[(2S)-3-[4-[(4-methanoylpiperazin-1-yl)methyl]-2-methoxy-phenoxy]-2-oxidanyl-propyl]azanium

Systemtic Name: diethyl-[(2S)-3-[4-[(4-methanoylpiperazin-1-yl)methyl]-2-methoxy-phenoxy]-2-oxidanyl-propyl]azanium Openeye Name: diethyl-[(2S)-3-[4-[(4-formylpiperazin-1-yl)methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]ammonium CAS Name: diethyl-[(2S)-3-[4-[(4-formyl-1-piperazinyl)methyl]-2-methoxyphenoxy]-2-hydroxypropyl]ammonium IUPAC Name: diethyl-[(2S)-3-[4-[(4-formylpiperazin-1-yl)methyl]-2-methoxyphenoxy]-2-hydroxypropyl]azanium Traditional Name: diethyl-[(2S)-3-[4-[(4-formylpiperazino)methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]ammonium Formula: C20H34N3O4+ MolecularWeight: 380.50166

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(COC1=C(C=C(C=C1)CN2CCN(CC2)C=O)OC)O

Isomeric SMILES

CC[NH+](CC)C[C@@H](COC1=C(C=C(C=C1)CN2CCN(CC2)C=O)OC)O

InChI

InChI=1S/C20H33N3O4/c1-4-21(5-2)14-18(25)15-27-19-7-6-17(12-20(19)26-3)13-22-8-10-23(16-24)11-9-22/h6-7,12,16,18,25H,4-5,8-11,13-15H2,1-3H3/p+1/t18-/m0/s1