3-[(S)-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-pyridin-4-yl-methyl]-2-methyl-1H-indole

Systemtic Name: 3-[(S)-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-pyridin-4-yl-methyl]-2-methyl-1H-indole Openeye Name: 3-[(S)-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-(4-pyridyl)methyl]-2-methyl-1H-indole CAS Name: 3-[(S)-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-pyridin-4-ylmethyl]-2-methyl-1H-indole IUPAC Name: 3-[(S)-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-pyridin-4-ylmethyl]-2-methyl-1H-indole Traditional Name: 3-[(S)-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-(4-pyridyl)methyl]-2-methyl-1H-indole Formula: C25H26FN4+ MolecularWeight: 401.499143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C3=CC=NC=C3)[NH+]4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)[C@H](C3=CC=NC=C3)[NH+]4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H25FN4/c1-18-24(22-4-2-3-5-23(22)28-18)25(19-10-12-27-13-11-19)30-16-14-29(15-17-30)21-8-6-20(26)7-9-21/h2-13,25,28H,14-17H2,1H3/p+1/t25-/m0/s1