[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-(3,4,5-triethoxyphenyl)methanone

Systemtic Name: [(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-(3,4,5-triethoxyphenyl)methanone Openeye Name: [(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-(3,4,5-triethoxyphenyl)methanone CAS Name: [(2R)-4-methyl-2-phenyl-1-piperazin-4-iumyl]-(3,4,5-triethoxyphenyl)methanone IUPAC Name: [(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]-(3,4,5-triethoxyphenyl)methanone Traditional Name: [(2R)-4-methyl-2-phenyl-piperazin-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+](CC2C3=CC=CC=C3)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CC[NH+](C[C@H]2C3=CC=CC=C3)C

InChI

InChI=1S/C24H32N2O4/c1-5-28-21-15-19(16-22(29-6-2)23(21)30-7-3)24(27)26-14-13-25(4)17-20(26)18-11-9-8-10-12-18/h8-12,15-16,20H,5-7,13-14,17H2,1-4H3/p+1/t20-/m0/s1