N-[3-(1H-imidazol-1-ium-1-yl)propyl]-3-methyl-benzamide

Systemtic Name: N-[3-(1H-imidazol-1-ium-1-yl)propyl]-3-methyl-benzamide Openeye Name: N-[3-(1H-imidazol-1-ium-1-yl)propyl]-3-methyl-benzamide CAS Name: N-[3-(1H-imidazol-1-ium-1-yl)propyl]-3-methylbenzamide IUPAC Name: N-[3-(1H-imidazol-1-ium-1-yl)propyl]-3-methylbenzamide Traditional Name: N-[3-(1H-imidazol-1-ium-1-yl)propyl]-3-methyl-benzamide Formula: C14H18N3O+ MolecularWeight: 244.31222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCCC[NH+]2C=CN=C2

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCCC[NH+]2C=CN=C2

InChI

InChI=1S/C14H17N3O/c1-12-4-2-5-13(10-12)14(18)16-6-3-8-17-9-7-15-11-17/h2,4-5,7,9-11H,3,6,8H2,1H3,(H,16,18)/p+1