2-[(3,4-dimethoxyphenyl)methyl]-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,3-benzoxazole-6-carboxamide

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methyl]-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,3-benzoxazole-6-carboxamide Openeye Name: 2-[(3,4-dimethoxyphenyl)methyl]-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,3-benzoxazole-6-carboxamide CAS Name: 2-[(3,4-dimethoxyphenyl)methyl]-N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-1,3-benzoxazole-6-carboxamide IUPAC Name: 2-[(3,4-dimethoxyphenyl)methyl]-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,3-benzoxazole-6-carboxamide Traditional Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-veratryl-1,3-benzoxazole-6-carboxamide Formula: C24H30N3O4+ MolecularWeight: 424.5127

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2=CC3=C(C=C2)N=C(O3)CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)C2=CC3=C(C=C2)N=C(O3)CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C24H29N3O4/c1-4-27-11-5-6-18(27)15-25-24(28)17-8-9-19-21(14-17)31-23(26-19)13-16-7-10-20(29-2)22(12-16)30-3/h7-10,12,14,18H,4-6,11,13,15H2,1-3H3,(H,25,28)/p+1/t18-/m0/s1