[(2S)-1-(1H-indol-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-yl]azanium

Systemtic Name: [(2S)-1-(1H-indol-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-yl]azanium Openeye Name: [(1S)-1-(1H-indol-3-ylmethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]ammonium CAS Name: [(2S)-1-(1H-indol-3-yl)-3-[4-(2-methoxyphenyl)-1-piperazinyl]propan-2-yl]ammonium IUPAC Name: [(2S)-1-(1H-indol-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-yl]azanium Traditional Name: [(1S)-1-(1H-indol-3-ylmethyl)-2-[4-(2-methoxyphenyl)piperazino]ethyl]ammonium Formula: C22H29N4O+ MolecularWeight: 365.49186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CC(CC3=CNC4=CC=CC=C43)[NH3+]

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C[C@H](CC3=CNC4=CC=CC=C43)[NH3+]

InChI

InChI=1S/C22H28N4O/c1-27-22-9-5-4-8-21(22)26-12-10-25(11-13-26)16-18(23)14-17-15-24-20-7-3-2-6-19(17)20/h2-9,15,18,24H,10-14,16,23H2,1H3/p+1/t18-/m0/s1