(3,4-diethoxyphenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3,4-diethoxyphenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(3,4-diethoxyphenyl)methanone CAS Name: (3,4-diethoxyphenyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(3,4-diethoxyphenyl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(3,4-diethoxyphenyl)methanone Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)OCC

InChI

InChI=1S/C22H28N2O3/c1-3-26-20-11-10-19(16-21(20)27-4-2)22(25)24-14-12-23(13-15-24)17-18-8-6-5-7-9-18/h5-11,16H,3-4,12-15,17H2,1-2H3/p+1