N-butyl-2-[4-(3-phenoxyphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-(3-phenoxyphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-(3-phenoxybenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-[oxo-(3-phenoxyphenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-(3-phenoxybenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-(3-phenoxybenzoyl)piperazin-1-ium-1-yl]acetamide Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3/c1-2-3-12-24-22(27)18-25-13-15-26(16-14-25)23(28)19-8-7-11-21(17-19)29-20-9-5-4-6-10-20/h4-11,17H,2-3,12-16,18H2,1H3,(H,24,27)/p+1