(3-chloranyl-4-ethoxy-5-methoxy-phenyl)-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-chloranyl-4-ethoxy-5-methoxy-phenyl)-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone Openeye Name: (3-chloro-4-ethoxy-5-methoxy-phenyl)-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone CAS Name: (3-chloro-4-ethoxy-5-methoxyphenyl)-[(2R)-4-methyl-2-phenyl-1-piperazin-4-iumyl]methanone IUPAC Name: (3-chloro-4-ethoxy-5-methoxyphenyl)-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]methanone Traditional Name: (3-chloro-4-ethoxy-5-methoxy-phenyl)-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone Formula: C21H26ClN2O3+ MolecularWeight: 389.89574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C(=O)N2CC[NH+](CC2C3=CC=CC=C3)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C(=O)N2CC[NH+](C[C@H]2C3=CC=CC=C3)C)OC

InChI

InChI=1S/C21H25ClN2O3/c1-4-27-20-17(22)12-16(13-19(20)26-3)21(25)24-11-10-23(2)14-18(24)15-8-6-5-7-9-15/h5-9,12-13,18H,4,10-11,14H2,1-3H3/p+1/t18-/m0/s1