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

Systemtic Name: (2S)-2-azanyl-N-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]propanamide Openeye Name: (2S)-2-amino-N-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]propanamide CAS Name: (2S)-2-amino-N-[[4-[(3-methyl-1-imidazol-3-iumyl)methyl]phenyl]methyl]propanamide IUPAC Name: (2S)-2-amino-N-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]propanamide Traditional Name: (2S)-2-amino-N-[4-[(3-methylimidazol-3-ium-1-yl)methyl]benzyl]propionamide Formula: C15H21N4O+ MolecularWeight: 273.35344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)CN2C=C[N+](=C2)C)N

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=C(C=C1)CN2C=C[N+](=C2)C)N

InChI

InChI=1S/C15H20N4O/c1-12(16)15(20)17-9-13-3-5-14(6-4-13)10-19-8-7-18(2)11-19/h3-8,11-12H,9-10,16H2,1-2H3/p+1/t12-/m0/s1