N-cyclopropyl-2-[4-[4-(phenoxymethyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[4-(phenoxymethyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[4-(phenoxymethyl)benzoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[oxo-[4-(phenoxymethyl)phenyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[4-(phenoxymethyl)benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[4-(phenoxymethyl)benzoyl]piperazin-1-ium-1-yl]acetamide Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)COC4=CC=CC=C4

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)COC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O3/c27-22(24-20-10-11-20)16-25-12-14-26(15-13-25)23(28)19-8-6-18(7-9-19)17-29-21-4-2-1-3-5-21/h1-9,20H,10-17H2,(H,24,27)/p+1