2-[4-(3,4-diethoxyphenyl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(3,4-diethoxyphenyl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(3,4-diethoxybenzoyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[(3,4-diethoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(3,4-diethoxybenzoyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(3,4-diethoxybenzoyl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C21H32N3O4+ MolecularWeight: 390.49648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3)OCC

InChI

InChI=1S/C21H31N3O4/c1-3-27-18-8-7-17(15-19(18)28-4-2)21(26)24-13-11-22(12-14-24)16-20(25)23-9-5-6-10-23/h7-8,15H,3-6,9-14,16H2,1-2H3/p+1