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

Systemtic Name: (4-butoxy-3-methoxy-phenyl)-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone Openeye Name: (4-butoxy-3-methoxy-phenyl)-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone CAS Name: (4-butoxy-3-methoxyphenyl)-[(2R)-4-methyl-2-phenyl-1-piperazin-4-iumyl]methanone IUPAC Name: (4-butoxy-3-methoxyphenyl)-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]methanone Traditional Name: (4-butoxy-3-methoxy-phenyl)-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone Formula: C23H31N2O3+ MolecularWeight: 383.50384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2C3=CC=CC=C3)C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)N2CC[NH+](C[C@H]2C3=CC=CC=C3)C)OC

InChI

InChI=1S/C23H30N2O3/c1-4-5-15-28-21-12-11-19(16-22(21)27-3)23(26)25-14-13-24(2)17-20(25)18-9-7-6-8-10-18/h6-12,16,20H,4-5,13-15,17H2,1-3H3/p+1/t20-/m0/s1