2-[(2S)-1-(cyclohexylmethyl)-4-(1H-indol-3-ylmethyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(cyclohexylmethyl)-4-(1H-indol-3-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(cyclohexylmethyl)-4-(1H-indol-3-ylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(cyclohexylmethyl)-4-(1H-indol-3-ylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(cyclohexylmethyl)-4-(1H-indol-3-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(cyclohexylmethyl)-4-(1H-indol-3-ylmethyl)piperazin-1-ium-2-yl]ethanol Formula: C22H34N3O+ MolecularWeight: 356.52486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCN(CC2CCO)CC3=CNC4=CC=CC=C43

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCN(C[C@@H]2CCO)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H33N3O/c26-13-10-20-17-24(11-12-25(20)15-18-6-2-1-3-7-18)16-19-14-23-22-9-5-4-8-21(19)22/h4-5,8-9,14,18,20,23,26H,1-3,6-7,10-13,15-17H2/p+1/t20-/m0/s1