4-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-1-ium-1-yl]butanoate

Systemtic Name: 4-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-1-ium-1-yl]butanoate Openeye Name: 4-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-1-ium-1-yl]butanoate CAS Name: 4-[4-[(R)-(4-chlorophenyl)-phenylmethyl]-1-piperazin-1-iumyl]butanoate IUPAC Name: 4-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-ium-1-yl]butanoate Traditional Name: 4-[4-[(R)-(4-chlorophenyl)-phenyl-methyl]piperazin-1-ium-1-yl]butyrate Formula: C21H25ClN2O2 MolecularWeight: 372.8884

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC(=O)[O-])C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCCC(=O)[O-])[C@H](C2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2O2/c22-19-10-8-18(9-11-19)21(17-5-2-1-3-6-17)24-15-13-23(14-16-24)12-4-7-20(25)26/h1-3,5-6,8-11,21H,4,7,12-16H2,(H,25,26)/t21-/m1/s1