(3R)-3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: (3R)-3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: (3R)-3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one CAS Name: (3R)-3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-1-(4-ethyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: (3R)-3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: (3R)-3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Formula: C25H31ClN3O+ MolecularWeight: 424.98614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(CC(=O)N3CC[NH+](CC3)CC)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2[C@H](CC(=O)N3CC[NH+](CC3)CC)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H30ClN3O/c1-3-18-6-5-7-21-23(17-27-25(18)21)22(19-8-10-20(26)11-9-19)16-24(30)29-14-12-28(4-2)13-15-29/h5-11,17,22,27H,3-4,12-16H2,1-2H3/p+1/t22-/m1/s1