(2,3-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (2,3-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (2,3-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (2,3-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (2,3-dimethoxyphenyl)-[4-(1H-indol-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (2,3-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=CC=CC(=C1OC)C(=O)N2CC[NH+](CC2)CC3=CNC4=CC=CC=C43

Isomeric SMILES

COC1=CC=CC(=C1OC)C(=O)N2CC[NH+](CC2)CC3=CNC4=CC=CC=C43

InChI

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