3-chloranyl-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide

Systemtic Name: 3-chloranyl-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide Openeye Name: 3-chloro-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-N-(4-pyridylmethyl)benzamide CAS Name: 3-chloro-N-[[1-(1-methyl-4-piperidin-1-iumyl)-4-piperidin-1-iumyl]methyl]-N-(pyridin-4-ylmethyl)benzamide IUPAC Name: 3-chloro-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-N-(pyridin-4-ylmethyl)benzamide Traditional Name: 3-chloro-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-N-(4-pyridylmethyl)benzamide Formula: C25H35ClN4O+2 MolecularWeight: 443.0246

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCC(CC2)CN(CC3=CC=NC=C3)C(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC(CC2)CN(CC3=CC=NC=C3)C(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H33ClN4O/c1-28-13-9-24(10-14-28)29-15-7-21(8-16-29)19-30(18-20-5-11-27-12-6-20)25(31)22-3-2-4-23(26)17-22/h2-6,11-12,17,21,24H,7-10,13-16,18-19H2,1H3/p+2