(3S)-1-(4-ethylpiperazin-4-ium-1-yl)-3-(1H-indol-3-yl)-4-methyl-pentan-1-one

Systemtic Name: (3S)-1-(4-ethylpiperazin-4-ium-1-yl)-3-(1H-indol-3-yl)-4-methyl-pentan-1-one Openeye Name: (3S)-1-(4-ethylpiperazin-4-ium-1-yl)-3-(1H-indol-3-yl)-4-methyl-pentan-1-one CAS Name: (3S)-1-(4-ethyl-1-piperazin-4-iumyl)-3-(1H-indol-3-yl)-4-methyl-1-pentanone IUPAC Name: (3S)-1-(4-ethylpiperazin-4-ium-1-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one Traditional Name: (3S)-1-(4-ethylpiperazin-4-ium-1-yl)-3-(1H-indol-3-yl)-4-methyl-pentan-1-one Formula: C20H30N3O+ MolecularWeight: 328.4717

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CC(C2=CNC3=CC=CC=C32)C(C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C[C@H](C2=CNC3=CC=CC=C32)C(C)C

InChI

InChI=1S/C20H29N3O/c1-4-22-9-11-23(12-10-22)20(24)13-17(15(2)3)18-14-21-19-8-6-5-7-16(18)19/h5-8,14-15,17,21H,4,9-13H2,1-3H3/p+1/t17-/m0/s1