[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl-(3-phenylpropyl)-(pyridin-4-ylmethyl)azanium

Systemtic Name: [1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl-(3-phenylpropyl)-(pyridin-4-ylmethyl)azanium Openeye Name: [1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl-(3-phenylpropyl)-(4-pyridylmethyl)ammonium CAS Name: [1-(1-methyl-4-piperidin-1-iumyl)-4-piperidin-1-iumyl]methyl-(3-phenylpropyl)-(pyridin-4-ylmethyl)ammonium IUPAC Name: [1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl-(3-phenylpropyl)-(pyridin-4-ylmethyl)azanium Traditional Name: [1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl-(3-phenylpropyl)-(4-pyridylmethyl)ammonium Formula: C27H43N4+3 MolecularWeight: 423.65712

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCC(CC2)C[NH+](CCCC3=CC=CC=C3)CC4=CC=NC=C4

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC(CC2)C[NH+](CCCC3=CC=CC=C3)CC4=CC=NC=C4

InChI

InChI=1S/C27H40N4/c1-29-18-13-27(14-19-29)31-20-11-26(12-21-31)23-30(22-25-9-15-28-16-10-25)17-5-8-24-6-3-2-4-7-24/h2-4,6-7,9-10,15-16,26-27H,5,8,11-14,17-23H2,1H3/p+3