(2S)-2-azanyl-N-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-3-phenyl-propanamide

Systemtic Name: (2S)-2-azanyl-N-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-3-phenyl-propanamide Openeye Name: (2S)-2-amino-N-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-3-phenyl-propanamide CAS Name: (2S)-2-amino-N-[[4-[(3-methyl-1-imidazol-3-iumyl)methyl]phenyl]methyl]-3-phenylpropanamide IUPAC Name: (2S)-2-amino-N-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide Traditional Name: (2S)-2-amino-N-[4-[(3-methylimidazol-3-ium-1-yl)methyl]benzyl]-3-phenyl-propionamide Formula: C21H25N4O+ MolecularWeight: 349.4494

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CC2=CC=C(C=C2)CNC(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

C[N+]1=CN(C=C1)CC2=CC=C(C=C2)CNC(=O)[C@H](CC3=CC=CC=C3)N

InChI

InChI=1S/C21H24N4O/c1-24-11-12-25(16-24)15-19-9-7-18(8-10-19)14-23-21(26)20(22)13-17-5-3-2-4-6-17/h2-12,16,20H,13-15,22H2,1H3/p+1/t20-/m0/s1