N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-[(5-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-[(5-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]propanamide Openeye Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-[(2-hydroxy-5-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]propanamide CAS Name: N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-3-[1-[(2-hydroxy-5-methoxyphenyl)methyl]-4-piperidin-1-iumyl]propanamide IUPAC Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-1-ium-4-yl]propanamide Traditional Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-(2-hydroxy-5-methoxy-benzyl)piperidin-1-ium-4-yl]propionamide Formula: C23H39N3O3+2 MolecularWeight: 405.57406

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)CCC2CC[NH+](CC2)CC3=C(C=CC(=C3)OC)O

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)CCC2CC[NH+](CC2)CC3=C(C=CC(=C3)OC)O

InChI

InChI=1S/C23H37N3O3/c1-3-26-12-4-5-20(26)16-24-23(28)9-6-18-10-13-25(14-11-18)17-19-15-21(29-2)7-8-22(19)27/h7-8,15,18,20,27H,3-6,9-14,16-17H2,1-2H3,(H,24,28)/p+2/t20-/m0/s1