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

Systemtic Name: 2-[(2S)-4-(isoquinolin-5-ylmethyl)-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(5-isoquinolylmethyl)-1-(2-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(5-isoquinolinylmethyl)-1-(thiophen-2-ylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(isoquinolin-5-ylmethyl)-1-(thiophen-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(5-isoquinolylmethyl)-1-(2-thenyl)piperazin-4-ium-2-yl]ethanol Formula: C21H26N3OS+ MolecularWeight: 368.51564

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=CC=CC3=C2C=CN=C3)CCO)CC4=CC=CS4

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=CC=CC3=C2C=CN=C3)CCO)CC4=CC=CS4

InChI

InChI=1S/C21H25N3OS/c25-11-7-19-15-23(9-10-24(19)16-20-5-2-12-26-20)14-18-4-1-3-17-13-22-8-6-21(17)18/h1-6,8,12-13,19,25H,7,9-11,14-16H2/p+1/t19-/m0/s1