1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-(1H-indol-3-yl)propan-1-one

Systemtic Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-(1H-indol-3-yl)propan-1-one Openeye Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-(1H-indol-3-yl)propan-1-one CAS Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-(1H-indol-3-yl)-1-propanone IUPAC Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-(1H-indol-3-yl)propan-1-one Traditional Name: 1-[4-(2,5-dimethoxybenzyl)piperazin-4-ium-1-yl]-3-(1H-indol-3-yl)propan-1-one Formula: C24H30N3O3+ MolecularWeight: 408.5133

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)CCC3=CNC4=CC=CC=C43

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)CCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C24H29N3O3/c1-29-20-8-9-23(30-2)19(15-20)17-26-11-13-27(14-12-26)24(28)10-7-18-16-25-22-6-4-3-5-21(18)22/h3-6,8-9,15-16,25H,7,10-14,17H2,1-2H3/p+1