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

Systemtic Name: 2-[(2S)-4-[(3-methyl-1H-indol-2-yl)methyl]-1-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(3-methyl-1H-indol-2-yl)methyl]-1-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(3-methyl-1H-indol-2-yl)methyl]-1-(3-phenylpropyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(3-methyl-1H-indol-2-yl)methyl]-1-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(3-methyl-1H-indol-2-yl)methyl]-1-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol Formula: C25H34N3O+ MolecularWeight: 392.55696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=CC=CC=C12)C[NH+]3CCN(C(C3)CCO)CCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(NC2=CC=CC=C12)C[NH+]3CCN([C@H](C3)CCO)CCCC4=CC=CC=C4

InChI

InChI=1S/C25H33N3O/c1-20-23-11-5-6-12-24(23)26-25(20)19-27-15-16-28(22(18-27)13-17-29)14-7-10-21-8-3-2-4-9-21/h2-6,8-9,11-12,22,26,29H,7,10,13-19H2,1H3/p+1/t22-/m0/s1