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

Systemtic Name: 2-[(2S)-1-cyclohexyl-4-(1H-indol-2-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclohexyl-4-(1H-indol-2-ylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclohexyl-4-(1H-indol-2-ylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclohexyl-4-(1H-indol-2-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclohexyl-4-(1H-indol-2-ylmethyl)piperazin-1-ium-2-yl]ethanol Formula: C21H32N3O+ MolecularWeight: 342.49828

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2CCO)CC3=CC4=CC=CC=C4N3

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)CC3=CC4=CC=CC=C4N3

InChI

InChI=1S/C21H31N3O/c25-13-10-20-16-23(11-12-24(20)19-7-2-1-3-8-19)15-18-14-17-6-4-5-9-21(17)22-18/h4-6,9,14,19-20,22,25H,1-3,7-8,10-13,15-16H2/p+1/t20-/m0/s1