N-methyl-2-phenethyl-N-[[(3R)-1-propan-2-ylpyrrolidin-1-ium-3-yl]methyl]-1,3-benzoxazole-5-carboxamide

Systemtic Name: N-methyl-2-phenethyl-N-[[(3R)-1-propan-2-ylpyrrolidin-1-ium-3-yl]methyl]-1,3-benzoxazole-5-carboxamide Openeye Name: N-[[(3R)-1-isopropylpyrrolidin-1-ium-3-yl]methyl]-N-methyl-2-phenethyl-1,3-benzoxazole-5-carboxamide CAS Name: N-methyl-2-phenethyl-N-[[(3R)-1-propan-2-yl-3-pyrrolidin-1-iumyl]methyl]-1,3-benzoxazole-5-carboxamide IUPAC Name: N-methyl-2-phenethyl-N-[[(3R)-1-propan-2-ylpyrrolidin-1-ium-3-yl]methyl]-1,3-benzoxazole-5-carboxamide Traditional Name: N-[[(3R)-1-isopropylpyrrolidin-1-ium-3-yl]methyl]-N-methyl-2-phenethyl-1,3-benzoxazole-5-carboxamide Formula: C25H32N3O2+ MolecularWeight: 406.54048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(C1)CN(C)C(=O)C2=CC3=C(C=C2)OC(=N3)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)[NH+]1CC[C@@H](C1)CN(C)C(=O)C2=CC3=C(C=C2)OC(=N3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H31N3O2/c1-18(2)28-14-13-20(17-28)16-27(3)25(29)21-10-11-23-22(15-21)26-24(30-23)12-9-19-7-5-4-6-8-19/h4-8,10-11,15,18,20H,9,12-14,16-17H2,1-3H3/p+1/t20-/m1/s1