N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(3-methylbutyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(3-methylbutyl)piperidin-1-ium-4-carboxamide Openeye Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-isopentyl-piperidin-1-ium-4-carboxamide CAS Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(3-methylbutyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(3-methylbutyl)piperidin-1-ium-4-carboxamide Traditional Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-isoamyl-piperidin-1-ium-4-carboxamide Formula: C24H30N3O2+ MolecularWeight: 392.5139

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCC(CC1)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C)CC[NH+]1CCC(CC1)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C24H29N3O2/c1-17(2)11-14-27-15-12-18(13-16-27)23(28)25-20-9-7-19(8-10-20)24-26-21-5-3-4-6-22(21)29-24/h3-10,17-18H,11-16H2,1-2H3,(H,25,28)/p+1