isoquinolin-5-ylmethyl-[[1-(1-methylpiperidin-4-yl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: isoquinolin-5-ylmethyl-[[1-(1-methylpiperidin-4-yl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: 5-isoquinolylmethyl-[[1-(1-methyl-4-piperidyl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium CAS Name: 5-isoquinolinylmethyl-[[1-(1-methyl-4-piperidinyl)-4-piperidin-1-iumyl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: isoquinolin-5-ylmethyl-[[1-(1-methylpiperidin-4-yl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: 5-isoquinolylmethyl-[[1-(1-methyl-4-piperidyl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium Formula: C28H39N5+2 MolecularWeight: 445.64276

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)[NH+]2CCC(CC2)C[NH+](CC3=CC=NC=C3)CC4=CC=CC5=C4C=CN=C5

Isomeric SMILES

CN1CCC(CC1)[NH+]2CCC(CC2)C[NH+](CC3=CC=NC=C3)CC4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C28H37N5/c1-31-15-10-27(11-16-31)33-17-8-24(9-18-33)21-32(20-23-5-12-29-13-6-23)22-26-4-2-3-25-19-30-14-7-28(25)26/h2-7,12-14,19,24,27H,8-11,15-18,20-22H2,1H3/p+2