(5-chloranyl-2-methoxy-phenyl)methyl-methyl-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]azanium

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl-methyl-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]azanium Openeye Name: (5-chloro-2-methoxy-phenyl)methyl-methyl-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]ammonium CAS Name: (5-chloro-2-methoxyphenyl)methyl-methyl-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]ammonium IUPAC Name: (5-chloro-2-methoxyphenyl)methyl-methyl-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]azanium Traditional Name: (5-chloro-2-methoxy-benzyl)-[2-keto-2-(4-phenylpiperazino)ethyl]-methyl-ammonium Formula: C21H27ClN3O2+ MolecularWeight: 388.91098

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC(=C1)Cl)OC)CC(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

C[NH+](CC1=C(C=CC(=C1)Cl)OC)CC(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H26ClN3O2/c1-23(15-17-14-18(22)8-9-20(17)27-2)16-21(26)25-12-10-24(11-13-25)19-6-4-3-5-7-19/h3-9,14H,10-13,15-16H2,1-2H3/p+1