N-(phenylmethyl)-2-[4-[4-(propan-2-yloxymethyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(phenylmethyl)-2-[4-[4-(propan-2-yloxymethyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-benzyl-2-[4-[4-(isopropoxymethyl)benzoyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[oxo-[4-(propan-2-yloxymethyl)phenyl]methyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[4-(propan-2-yloxymethyl)benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[4-(isopropoxymethyl)benzoyl]piperazin-1-ium-1-yl]acetamide Formula: C24H32N3O3+ MolecularWeight: 410.52918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)OCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O3/c1-19(2)30-18-21-8-10-22(11-9-21)24(29)27-14-12-26(13-15-27)17-23(28)25-16-20-6-4-3-5-7-20/h3-11,19H,12-18H2,1-2H3,(H,25,28)/p+1