2-butyl-N-[(2R)-2-morpholin-4-ium-4-yl-2-pyridin-4-yl-ethyl]-1,3-benzoxazole-5-carboxamide

Systemtic Name: 2-butyl-N-[(2R)-2-morpholin-4-ium-4-yl-2-pyridin-4-yl-ethyl]-1,3-benzoxazole-5-carboxamide Openeye Name: 2-butyl-N-[(2R)-2-morpholin-4-ium-4-yl-2-(4-pyridyl)ethyl]-1,3-benzoxazole-5-carboxamide CAS Name: 2-butyl-N-[(2R)-2-(4-morpholin-4-iumyl)-2-pyridin-4-ylethyl]-1,3-benzoxazole-5-carboxamide IUPAC Name: 2-butyl-N-[(2R)-2-morpholin-4-ium-4-yl-2-pyridin-4-ylethyl]-1,3-benzoxazole-5-carboxamide Traditional Name: 2-butyl-N-[(2R)-2-morpholin-4-ium-4-yl-2-(4-pyridyl)ethyl]-1,3-benzoxazole-5-carboxamide Formula: C23H29N4O3+ MolecularWeight: 409.50136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(O1)C=CC(=C2)C(=O)NCC(C3=CC=NC=C3)[NH+]4CCOCC4

Isomeric SMILES

CCCCC1=NC2=C(O1)C=CC(=C2)C(=O)NC[C@@H](C3=CC=NC=C3)[NH+]4CCOCC4

InChI

InChI=1S/C23H28N4O3/c1-2-3-4-22-26-19-15-18(5-6-21(19)30-22)23(28)25-16-20(17-7-9-24-10-8-17)27-11-13-29-14-12-27/h5-10,15,20H,2-4,11-14,16H2,1H3,(H,25,28)/p+1/t20-/m0/s1