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

Systemtic Name: [(2S)-1-(1H-indol-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-2-yl]azanium Openeye Name: [(1S)-1-(1H-indol-3-ylmethyl)-2-[4-(m-tolyl)piperazin-1-yl]ethyl]ammonium CAS Name: [(2S)-1-(1H-indol-3-yl)-3-[4-(3-methylphenyl)-1-piperazinyl]propan-2-yl]ammonium IUPAC Name: [(2S)-1-(1H-indol-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-2-yl]azanium Traditional Name: [(1S)-1-(1H-indol-3-ylmethyl)-2-[4-(m-tolyl)piperazino]ethyl]ammonium Formula: C22H29N4+ MolecularWeight: 349.49246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CC(CC3=CNC4=CC=CC=C43)[NH3+]

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C[C@H](CC3=CNC4=CC=CC=C43)[NH3+]

InChI

InChI=1S/C22H28N4/c1-17-5-4-6-20(13-17)26-11-9-25(10-12-26)16-19(23)14-18-15-24-22-8-3-2-7-21(18)22/h2-8,13,15,19,24H,9-12,14,16,23H2,1H3/p+1/t19-/m0/s1