[1-[(3S)-1-(isoquinolin-5-ylmethyl)piperidin-1-ium-3-yl]piperidin-4-yl]methanol

Systemtic Name: [1-[(3S)-1-(isoquinolin-5-ylmethyl)piperidin-1-ium-3-yl]piperidin-4-yl]methanol Openeye Name: [1-[(3S)-1-(5-isoquinolylmethyl)piperidin-1-ium-3-yl]-4-piperidyl]methanol CAS Name: [1-[(3S)-1-(5-isoquinolinylmethyl)-3-piperidin-1-iumyl]-4-piperidinyl]methanol IUPAC Name: [1-[(3S)-1-(isoquinolin-5-ylmethyl)piperidin-1-ium-3-yl]piperidin-4-yl]methanol Traditional Name: [1-[(3S)-1-(5-isoquinolylmethyl)piperidin-1-ium-3-yl]-4-piperidyl]methanol Formula: C21H30N3O+ MolecularWeight: 340.4824

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC3=C2C=CN=C3)N4CCC(CC4)CO

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC3=C2C=CN=C3)N4CCC(CC4)CO

InChI

InChI=1S/C21H29N3O/c25-16-17-7-11-24(12-8-17)20-5-2-10-23(15-20)14-19-4-1-3-18-13-22-9-6-21(18)19/h1,3-4,6,9,13,17,20,25H,2,5,7-8,10-12,14-16H2/p+1/t20-/m0/s1