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2-[(2S)-4-(1H-indol-2-ylmethyl)-1-[(4-methylphenyl)methyl]piperazin-4-ium-2-yl]ethanol
2-[(2S)-4-(1H-indol-2-ylmethyl)-1-[(4-methylphenyl)methyl]piperazin-4-ium-2-yl]ethanol
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Descriptors Computed from Structure
Canonical SMILES:
CC1=CC=C(C=C1)CN2CC[NH+](CC2CCO)CC3=CC4=CC=CC=C4N3
Isomeric SMILES
CC1=CC=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CC4=CC=CC=C4N3
InChI
InChI=1S/C23H29N3O/c1-18-6-8-19(9-7-18)15-26-12-11-25(17-22(26)10-13-27)16-21-14-20-4-2-3-5-23(20)24-21/h2-9,14,22,24,27H,10-13,15-17H2,1H3/p+1/t22-/m0/s1
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