2-[4-[4-(propan-2-yloxymethyl)phenyl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[4-(propan-2-yloxymethyl)phenyl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[4-(isopropoxymethyl)benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[oxo-[4-(propan-2-yloxymethyl)phenyl]methyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[4-(propan-2-yloxymethyl)benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[4-(isopropoxymethyl)benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C21H32N3O3+ MolecularWeight: 374.49708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3

Isomeric SMILES

CC(C)OCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3

InChI

InChI=1S/C21H31N3O3/c1-17(2)27-16-18-5-7-19(8-6-18)21(26)24-13-11-22(12-14-24)15-20(25)23-9-3-4-10-23/h5-8,17H,3-4,9-16H2,1-2H3/p+1