(3R)-3-(1,3-benzodioxol-5-yl)-1-(4-ethylpiperazin-4-ium-1-yl)-3-(1H-indol-3-yl)propan-1-one

Systemtic Name: (3R)-3-(1,3-benzodioxol-5-yl)-1-(4-ethylpiperazin-4-ium-1-yl)-3-(1H-indol-3-yl)propan-1-one Openeye Name: (3R)-3-(1,3-benzodioxol-5-yl)-1-(4-ethylpiperazin-4-ium-1-yl)-3-(1H-indol-3-yl)propan-1-one CAS Name: (3R)-3-(1,3-benzodioxol-5-yl)-1-(4-ethyl-1-piperazin-4-iumyl)-3-(1H-indol-3-yl)-1-propanone IUPAC Name: (3R)-3-(1,3-benzodioxol-5-yl)-1-(4-ethylpiperazin-4-ium-1-yl)-3-(1H-indol-3-yl)propan-1-one Traditional Name: (3R)-3-(1,3-benzodioxol-5-yl)-1-(4-ethylpiperazin-4-ium-1-yl)-3-(1H-indol-3-yl)propan-1-one Formula: C24H28N3O3+ MolecularWeight: 406.49742

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CC(C2=CC3=C(C=C2)OCO3)C4=CNC5=CC=CC=C54

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C[C@H](C2=CC3=C(C=C2)OCO3)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C24H27N3O3/c1-2-26-9-11-27(12-10-26)24(28)14-19(17-7-8-22-23(13-17)30-16-29-22)20-15-25-21-6-4-3-5-18(20)21/h3-8,13,15,19,25H,2,9-12,14,16H2,1H3/p+1/t19-/m1/s1