3-[(3R)-1-(isoquinolin-5-ylmethyl)piperidin-1-ium-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(3R)-1-(isoquinolin-5-ylmethyl)piperidin-1-ium-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-(5-isoquinolylmethyl)piperidin-1-ium-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one CAS Name: 3-[(3R)-1-(5-isoquinolinylmethyl)-3-piperidin-1-iumyl]-1-(4-methyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[(3R)-1-(isoquinolin-5-ylmethyl)piperidin-1-ium-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-(5-isoquinolylmethyl)piperidin-1-ium-3-yl]-1-(4-methylpiperazino)propan-1-one Formula: C23H33N4O+ MolecularWeight: 381.53432

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CCC2CCC[NH+](C2)CC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CN1CCN(CC1)C(=O)CC[C@H]2CCC[NH+](C2)CC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C23H32N4O/c1-25-12-14-27(15-13-25)23(28)8-7-19-4-3-11-26(17-19)18-21-6-2-5-20-16-24-10-9-22(20)21/h2,5-6,9-10,16,19H,3-4,7-8,11-15,17-18H2,1H3/p+1/t19-/m1/s1