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

Systemtic Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(2-methylphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(o-tolylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(2-methylphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(2-methylphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(2-methylbenzyl)piperidin-1-ium-4-carboxamide Formula: C27H28N3O2+ MolecularWeight: 426.53012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C27H27N3O2/c1-19-6-2-3-7-22(19)18-30-16-14-20(15-17-30)26(31)28-23-12-10-21(11-13-23)27-29-24-8-4-5-9-25(24)32-27/h2-13,20H,14-18H2,1H3,(H,28,31)/p+1