[4-[(3-ethynylphenyl)carbamoyl]phenyl]methylazanium

Systemtic Name: [4-[(3-ethynylphenyl)carbamoyl]phenyl]methylazanium Openeye Name: [4-[(3-ethynylphenyl)carbamoyl]phenyl]methylammonium CAS Name: [4-[(3-ethynylanilino)-oxomethyl]phenyl]methylammonium IUPAC Name: [4-[(3-ethynylphenyl)carbamoyl]phenyl]methylazanium Traditional Name: [4-[(3-ethynylphenyl)carbamoyl]benzyl]ammonium Formula: C16H15N2O+ MolecularWeight: 251.3031

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)C[NH3+]

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)C[NH3+]

InChI

InChI=1S/C16H14N2O/c1-2-12-4-3-5-15(10-12)18-16(19)14-8-6-13(11-17)7-9-14/h1,3-10H,11,17H2,(H,18,19)/p+1