1-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-(4-methoxyphenyl)propan-1-one

Systemtic Name: 1-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-(4-methoxyphenyl)propan-1-one Openeye Name: 1-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-(4-methoxyphenyl)propan-1-one CAS Name: 1-[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]-3-(4-methoxyphenyl)-1-propanone IUPAC Name: 1-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-(4-methoxyphenyl)propan-1-one Traditional Name: 1-[4-(2-chlorobenzyl)piperazin-4-ium-1-yl]-3-(4-methoxyphenyl)propan-1-one Formula: C21H26ClN2O2+ MolecularWeight: 373.89634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3Cl

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C21H25ClN2O2/c1-26-19-9-6-17(7-10-19)8-11-21(25)24-14-12-23(13-15-24)16-18-4-2-3-5-20(18)22/h2-7,9-10H,8,11-16H2,1H3/p+1