[(S)-(4-acetamidophenyl)-(1-methylpyrrol-2-yl)methyl]azanium

Systemtic Name: [(S)-(4-acetamidophenyl)-(1-methylpyrrol-2-yl)methyl]azanium Openeye Name: [(S)-(4-acetamidophenyl)-(1-methylpyrrol-2-yl)methyl]ammonium CAS Name: [(S)-(4-acetamidophenyl)-(1-methyl-2-pyrrolyl)methyl]ammonium IUPAC Name: [(S)-(4-acetamidophenyl)-(1-methylpyrrol-2-yl)methyl]azanium Traditional Name: [(S)-(4-acetamidophenyl)-(1-methylpyrrol-2-yl)methyl]ammonium Formula: C14H18N3O+ MolecularWeight: 244.31222

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(C2=CC=CN2C)[NH3+]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)[C@@H](C2=CC=CN2C)[NH3+]

InChI

InChI=1S/C14H17N3O/c1-10(18)16-12-7-5-11(6-8-12)14(15)13-4-3-9-17(13)2/h3-9,14H,15H2,1-2H3,(H,16,18)/p+1/t14-/m0/s1