(4-ethoxy-3-methoxy-phenyl)-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone Openeye Name: (4-ethoxy-3-methoxy-phenyl)-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone CAS Name: (4-ethoxy-3-methoxyphenyl)-[(2R)-4-methyl-2-phenyl-1-piperazin-4-iumyl]methanone IUPAC Name: (4-ethoxy-3-methoxyphenyl)-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]methanone Traditional Name: (4-ethoxy-3-methoxy-phenyl)-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2C3=CC=CC=C3)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CC[NH+](C[C@H]2C3=CC=CC=C3)C)OC

InChI

InChI=1S/C21H26N2O3/c1-4-26-19-11-10-17(14-20(19)25-3)21(24)23-13-12-22(2)15-18(23)16-8-6-5-7-9-16/h5-11,14,18H,4,12-13,15H2,1-3H3/p+1/t18-/m0/s1