2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(isoquinolin-5-ylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(isoquinolin-5-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(5-isoquinolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(5-isoquinolinylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-(isoquinolin-5-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(2-ethoxybenzyl)-4-(5-isoquinolylmethyl)piperazin-4-ium-2-yl]ethanol Formula: C25H32N3O2+ MolecularWeight: 406.54048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CN2CC[NH+](CC2CCO)CC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CCOC1=CC=CC=C1CN2CC[NH+](C[C@@H]2CCO)CC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C25H31N3O2/c1-2-30-25-9-4-3-6-22(25)18-28-14-13-27(19-23(28)11-15-29)17-21-8-5-7-20-16-26-12-10-24(20)21/h3-10,12,16,23,29H,2,11,13-15,17-19H2,1H3/p+1/t23-/m0/s1