N-(4-azanyl-2-methyl-phenyl)-3-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)propanamide

Systemtic Name: N-(4-azanyl-2-methyl-phenyl)-3-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)propanamide Openeye Name: N-(4-amino-2-methyl-phenyl)-3-(2-isopropyl-1H-imidazol-3-ium-3-yl)propanamide CAS Name: N-(4-amino-2-methylphenyl)-3-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)propanamide IUPAC Name: N-(4-amino-2-methylphenyl)-3-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)propanamide Traditional Name: N-(4-amino-2-methyl-phenyl)-3-(2-isopropyl-1H-imidazol-3-ium-3-yl)propionamide Formula: C16H23N4O+ MolecularWeight: 287.38002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N)NC(=O)CC[N+]2=C(NC=C2)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)N)NC(=O)CC[N+]2=C(NC=C2)C(C)C

InChI

InChI=1S/C16H22N4O/c1-11(2)16-18-7-9-20(16)8-6-15(21)19-14-5-4-13(17)10-12(14)3/h4-5,7,9-11H,6,8,17H2,1-3H3,(H,19,21)/p+1