3-[(S)-(3,4-dimethoxyphenyl)-piperazin-4-ium-1-yl-methyl]-1H-indole

Systemtic Name: 3-[(S)-(3,4-dimethoxyphenyl)-piperazin-4-ium-1-yl-methyl]-1H-indole Openeye Name: 3-[(S)-(3,4-dimethoxyphenyl)-piperazin-4-ium-1-yl-methyl]-1H-indole CAS Name: 3-[(S)-(3,4-dimethoxyphenyl)-(1-piperazin-4-iumyl)methyl]-1H-indole IUPAC Name: 3-[(S)-(3,4-dimethoxyphenyl)-piperazin-4-ium-1-ylmethyl]-1H-indole Traditional Name: 3-[(S)-(3,4-dimethoxyphenyl)-piperazin-4-ium-1-yl-methyl]-1H-indole Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CNC3=CC=CC=C32)N4CC[NH2+]CC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H](C2=CNC3=CC=CC=C32)N4CC[NH2+]CC4)OC

InChI

InChI=1S/C21H25N3O2/c1-25-19-8-7-15(13-20(19)26-2)21(24-11-9-22-10-12-24)17-14-23-18-6-4-3-5-16(17)18/h3-8,13-14,21-23H,9-12H2,1-2H3/p+1/t21-/m0/s1