2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]ethanamide

Systemtic Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]ethanamide Openeye Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide CAS Name: 2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-N-[(1R)-1-phenylbutyl]acetamide IUPAC Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide Traditional Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]acetamide Formula: C24H34N3O+ MolecularWeight: 380.54626

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC(=C3C)C

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC(=C3C)C

InChI

InChI=1S/C24H33N3O/c1-4-9-22(21-11-6-5-7-12-21)25-24(28)18-26-14-16-27(17-15-26)23-13-8-10-19(2)20(23)3/h5-8,10-13,22H,4,9,14-18H2,1-3H3,(H,25,28)/p+1/t22-/m1/s1