[3-(pentan-3-ylcarbamoyl)phenyl]methylazanium

Systemtic Name: [3-(pentan-3-ylcarbamoyl)phenyl]methylazanium Openeye Name: [3-(1-ethylpropylcarbamoyl)phenyl]methylammonium CAS Name: [3-[oxo-(pentan-3-ylamino)methyl]phenyl]methylammonium IUPAC Name: [3-(pentan-3-ylcarbamoyl)phenyl]methylazanium Traditional Name: [3-(1-ethylpropylcarbamoyl)benzyl]ammonium Formula: C13H21N2O+ MolecularWeight: 221.31864

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)C1=CC(=CC=C1)C[NH3+]

Isomeric SMILES

CCC(CC)NC(=O)C1=CC(=CC=C1)C[NH3+]

InChI

InChI=1S/C13H20N2O/c1-3-12(4-2)15-13(16)11-7-5-6-10(8-11)9-14/h5-8,12H,3-4,9,14H2,1-2H3,(H,15,16)/p+1