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

Systemtic Name: 2-[(2S)-4-(1H-indol-2-ylmethyl)-1-[(3-methoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(1H-indol-2-ylmethyl)-1-[(3-methoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(1H-indol-2-ylmethyl)-1-[(3-methoxyphenyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(1H-indol-2-ylmethyl)-1-[(3-methoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(1H-indol-2-ylmethyl)-1-m-anisyl-piperazin-4-ium-2-yl]ethanol Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CC[NH+](CC2CCO)CC3=CC4=CC=CC=C4N3

Isomeric SMILES

COC1=CC=CC(=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CC4=CC=CC=C4N3

InChI

InChI=1S/C23H29N3O2/c1-28-22-7-4-5-18(13-22)15-26-11-10-25(17-21(26)9-12-27)16-20-14-19-6-2-3-8-23(19)24-20/h2-8,13-14,21,24,27H,9-12,15-17H2,1H3/p+1/t21-/m0/s1