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

Systemtic Name: 2-[4-[4-(methoxymethyl)phenyl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[4-(methoxymethyl)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C19H28N3O3+ MolecularWeight: 346.44392

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3

Isomeric SMILES

COCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3

InChI

InChI=1S/C19H27N3O3/c1-25-15-16-4-6-17(7-5-16)19(24)22-12-10-20(11-13-22)14-18(23)21-8-2-3-9-21/h4-7H,2-3,8-15H2,1H3/p+1