2-[(2S)-4-(1H-indol-2-ylmethyl)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(1H-indol-2-ylmethyl)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(1H-indol-2-ylmethyl)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(1H-indol-2-ylmethyl)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(1H-indol-2-ylmethyl)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(1H-indol-2-ylmethyl)-1-(4-methoxy-2,3-dimethyl-benzyl)piperazin-4-ium-2-yl]ethanol Formula: C25H34N3O2+ MolecularWeight: 408.55636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)OC)CN2CC[NH+](CC2CCO)CC3=CC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C=CC(=C1C)OC)CN2CC[NH+](C[C@@H]2CCO)CC3=CC4=CC=CC=C4N3

InChI

InChI=1S/C25H33N3O2/c1-18-19(2)25(30-3)9-8-21(18)15-28-12-11-27(17-23(28)10-13-29)16-22-14-20-6-4-5-7-24(20)26-22/h4-9,14,23,26,29H,10-13,15-17H2,1-3H3/p+1/t23-/m0/s1