(3,4-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3,4-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3,4-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3,4-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3,4-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3,4-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperazin-4-ium-1-yl]methanone Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CNC4=CC=CC=C43)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CNC4=CC=CC=C43)OC

InChI

InChI=1S/C22H25N3O3/c1-27-20-8-7-16(13-21(20)28-2)22(26)25-11-9-24(10-12-25)15-17-14-23-19-6-4-3-5-18(17)19/h3-8,13-14,23H,9-12,15H2,1-2H3/p+1