3-[(2,6-dimethylphenyl)carbamoyl]pentan-3-yl-(phenylmethyl)azanium

Systemtic Name: 3-[(2,6-dimethylphenyl)carbamoyl]pentan-3-yl-(phenylmethyl)azanium Openeye Name: benzyl-[1-[(2,6-dimethylphenyl)carbamoyl]-1-ethyl-propyl]ammonium CAS Name: 3-[(2,6-dimethylanilino)-oxomethyl]pentan-3-yl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[(2,6-dimethylphenyl)carbamoyl]pentan-3-yl]azanium Traditional Name: benzyl-[1-[(2,6-dimethylphenyl)carbamoyl]-1-ethyl-propyl]ammonium Formula: C21H29N2O+ MolecularWeight: 325.46776

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)NC1=C(C=CC=C1C)C)[NH2+]CC2=CC=CC=C2

Isomeric SMILES

CCC(CC)(C(=O)NC1=C(C=CC=C1C)C)[NH2+]CC2=CC=CC=C2

InChI

InChI=1S/C21H28N2O/c1-5-21(6-2,22-15-18-13-8-7-9-14-18)20(24)23-19-16(3)11-10-12-17(19)4/h7-14,22H,5-6,15H2,1-4H3,(H,23,24)/p+1