(3S)-1-[(2-fluorophenyl)methyl]-N-(isoquinolin-5-ylmethyl)-N-methyl-piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[(2-fluorophenyl)methyl]-N-(isoquinolin-5-ylmethyl)-N-methyl-piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(2-fluorophenyl)methyl]-N-(5-isoquinolylmethyl)-N-methyl-piperidin-1-ium-3-amine CAS Name: (3S)-1-[(2-fluorophenyl)methyl]-N-(5-isoquinolinylmethyl)-N-methyl-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(2-fluorophenyl)methyl]-N-(isoquinolin-5-ylmethyl)-N-methylpiperidin-1-ium-3-amine Traditional Name: [(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-(5-isoquinolylmethyl)-methyl-amine Formula: C23H27FN3+ MolecularWeight: 364.478983

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC2=C1C=CN=C2)C3CCC[NH+](C3)CC4=CC=CC=C4F

Isomeric SMILES

CN(CC1=CC=CC2=C1C=CN=C2)[C@H]3CCC[NH+](C3)CC4=CC=CC=C4F

InChI

InChI=1S/C23H26FN3/c1-26(15-19-8-4-7-18-14-25-12-11-22(18)19)21-9-5-13-27(17-21)16-20-6-2-3-10-23(20)24/h2-4,6-8,10-12,14,21H,5,9,13,15-17H2,1H3/p+1/t21-/m0/s1