2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(1-methylindol-3-yl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(1-methylindol-3-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(1-methylindol-3-yl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(1-methyl-3-indolyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(1-methylindol-3-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-ethoxybenzyl)-4-[(1-methylindol-3-yl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C25H34N3O2+ MolecularWeight: 408.55636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CC[NH+](CC2CCO)CC3=CN(C4=CC=CC=C43)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CN(C4=CC=CC=C43)C

InChI

InChI=1S/C25H33N3O2/c1-3-30-23-10-8-20(9-11-23)16-28-14-13-27(19-22(28)12-15-29)18-21-17-26(2)25-7-5-4-6-24(21)25/h4-11,17,22,29H,3,12-16,18-19H2,1-2H3/p+1/t22-/m0/s1