4-[(R)-(5-chloranyl-2-methoxy-phenyl)-piperazin-4-ium-1-yl-methyl]-N,N-dimethyl-aniline

Systemtic Name: 4-[(R)-(5-chloranyl-2-methoxy-phenyl)-piperazin-4-ium-1-yl-methyl]-N,N-dimethyl-aniline Openeye Name: 4-[(R)-(5-chloro-2-methoxy-phenyl)-piperazin-4-ium-1-yl-methyl]-N,N-dimethyl-aniline CAS Name: 4-[(R)-(5-chloro-2-methoxyphenyl)-(1-piperazin-4-iumyl)methyl]-N,N-dimethylaniline IUPAC Name: 4-[(R)-(5-chloro-2-methoxyphenyl)-piperazin-4-ium-1-ylmethyl]-N,N-dimethylaniline Traditional Name: [4-[(R)-(5-chloro-2-methoxy-phenyl)-piperazin-4-ium-1-yl-methyl]phenyl]-dimethyl-amine Formula: C20H27ClN3O+ MolecularWeight: 360.90088

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C2=C(C=CC(=C2)Cl)OC)N3CC[NH2+]CC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@H](C2=C(C=CC(=C2)Cl)OC)N3CC[NH2+]CC3

InChI

InChI=1S/C20H26ClN3O/c1-23(2)17-7-4-15(5-8-17)20(24-12-10-22-11-13-24)18-14-16(21)6-9-19(18)25-3/h4-9,14,20,22H,10-13H2,1-3H3/p+1/t20-/m1/s1