(3S)-3-(2,4-dimethoxyphenyl)-1-(4-ethylpiperazin-4-ium-1-yl)-3-(1H-indol-3-yl)propan-1-one

Systemtic Name: (3S)-3-(2,4-dimethoxyphenyl)-1-(4-ethylpiperazin-4-ium-1-yl)-3-(1H-indol-3-yl)propan-1-one Openeye Name: (3S)-3-(2,4-dimethoxyphenyl)-1-(4-ethylpiperazin-4-ium-1-yl)-3-(1H-indol-3-yl)propan-1-one CAS Name: (3S)-3-(2,4-dimethoxyphenyl)-1-(4-ethyl-1-piperazin-4-iumyl)-3-(1H-indol-3-yl)-1-propanone IUPAC Name: (3S)-3-(2,4-dimethoxyphenyl)-1-(4-ethylpiperazin-4-ium-1-yl)-3-(1H-indol-3-yl)propan-1-one Traditional Name: (3S)-3-(2,4-dimethoxyphenyl)-1-(4-ethylpiperazin-4-ium-1-yl)-3-(1H-indol-3-yl)propan-1-one Formula: C25H32N3O3+ MolecularWeight: 422.53988

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CC(C2=C(C=C(C=C2)OC)OC)C3=CNC4=CC=CC=C43

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C[C@H](C2=C(C=C(C=C2)OC)OC)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C25H31N3O3/c1-4-27-11-13-28(14-12-27)25(29)16-21(20-10-9-18(30-2)15-24(20)31-3)22-17-26-23-8-6-5-7-19(22)23/h5-10,15,17,21,26H,4,11-14,16H2,1-3H3/p+1/t21-/m1/s1