N-(2,5-dimethylphenyl)-3-(4-methanoylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-(2,5-dimethylphenyl)-3-(4-methanoylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-(2,5-dimethylphenyl)-3-(4-formylpiperazin-1-ium-1-yl)propanamide CAS Name: N-(2,5-dimethylphenyl)-3-(4-formyl-1-piperazin-1-iumyl)propanamide IUPAC Name: N-(2,5-dimethylphenyl)-3-(4-formylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-(2,5-dimethylphenyl)-3-(4-formylpiperazin-1-ium-1-yl)propionamide Formula: C16H24N3O2+ MolecularWeight: 290.38066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CC[NH+]2CCN(CC2)C=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CC[NH+]2CCN(CC2)C=O

InChI

InChI=1S/C16H23N3O2/c1-13-3-4-14(2)15(11-13)17-16(21)5-6-18-7-9-19(12-20)10-8-18/h3-4,11-12H,5-10H2,1-2H3,(H,17,21)/p+1