4-[(R)-(3,4-dimethoxyphenyl)-piperazin-4-ium-1-yl-methyl]-N,N-dimethyl-aniline

Systemtic Name: 4-[(R)-(3,4-dimethoxyphenyl)-piperazin-4-ium-1-yl-methyl]-N,N-dimethyl-aniline Openeye Name: 4-[(R)-(3,4-dimethoxyphenyl)-piperazin-4-ium-1-yl-methyl]-N,N-dimethyl-aniline CAS Name: 4-[(R)-(3,4-dimethoxyphenyl)-(1-piperazin-4-iumyl)methyl]-N,N-dimethylaniline IUPAC Name: 4-[(R)-(3,4-dimethoxyphenyl)-piperazin-4-ium-1-ylmethyl]-N,N-dimethylaniline Traditional Name: [4-[(R)-(3,4-dimethoxyphenyl)-piperazin-4-ium-1-yl-methyl]phenyl]-dimethyl-amine Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O2/c1-23(2)18-8-5-16(6-9-18)21(24-13-11-22-12-14-24)17-7-10-19(25-3)20(15-17)26-4/h5-10,15,21-22H,11-14H2,1-4H3/p+1/t21-/m1/s1