[4-(phenylmethyl)piperazin-4-ium-1-yl]-(3,4,5-triethoxyphenyl)methanone

Systemtic Name: [4-(phenylmethyl)piperazin-4-ium-1-yl]-(3,4,5-triethoxyphenyl)methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(3,4,5-triethoxyphenyl)methanone CAS Name: [4-(phenylmethyl)-1-piperazin-4-iumyl]-(3,4,5-triethoxyphenyl)methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(3,4,5-triethoxyphenyl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(3,4,5-triethoxyphenyl)methanone Formula: C24H33N2O4+ MolecularWeight: 413.52982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H32N2O4/c1-4-28-21-16-20(17-22(29-5-2)23(21)30-6-3)24(27)26-14-12-25(13-15-26)18-19-10-8-7-9-11-19/h7-11,16-17H,4-6,12-15,18H2,1-3H3/p+1