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

Systemtic Name: 2-butyl-N-[[(3R)-1-propan-2-ylpyrrolidin-1-ium-3-yl]methyl]-1,3-benzoxazole-5-carboxamide Openeye Name: 2-butyl-N-[[(3R)-1-isopropylpyrrolidin-1-ium-3-yl]methyl]-1,3-benzoxazole-5-carboxamide CAS Name: 2-butyl-N-[[(3R)-1-propan-2-yl-3-pyrrolidin-1-iumyl]methyl]-1,3-benzoxazole-5-carboxamide IUPAC Name: 2-butyl-N-[[(3R)-1-propan-2-ylpyrrolidin-1-ium-3-yl]methyl]-1,3-benzoxazole-5-carboxamide Traditional Name: 2-butyl-N-[[(3R)-1-isopropylpyrrolidin-1-ium-3-yl]methyl]-1,3-benzoxazole-5-carboxamide Formula: C20H30N3O2+ MolecularWeight: 344.4711

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(O1)C=CC(=C2)C(=O)NCC3CC[NH+](C3)C(C)C

Isomeric SMILES

CCCCC1=NC2=C(O1)C=CC(=C2)C(=O)NC[C@H]3CC[NH+](C3)C(C)C

InChI

InChI=1S/C20H29N3O2/c1-4-5-6-19-22-17-11-16(7-8-18(17)25-19)20(24)21-12-15-9-10-23(13-15)14(2)3/h7-8,11,14-15H,4-6,9-10,12-13H2,1-3H3,(H,21,24)/p+1/t15-/m1/s1