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

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-(3-phenoxypropanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-(3-phenoxypropanoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-(1-oxo-3-phenoxypropyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-(3-phenoxypropanoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-(3-phenoxypropanoyl)piperazin-1-ium-1-yl]acetamide Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CCOC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CCOC3=CC=CC=C3)C

InChI

InChI=1S/C23H29N3O3/c1-18-7-6-10-21(19(18)2)24-22(27)17-25-12-14-26(15-13-25)23(28)11-16-29-20-8-4-3-5-9-20/h3-10H,11-17H2,1-2H3,(H,24,27)/p+1