N-ethyl-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-5-phenyl-pentanamide

Systemtic Name: N-ethyl-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-5-phenyl-pentanamide Openeye Name: N-ethyl-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-5-phenyl-pentanamide CAS Name: N-ethyl-N-[[1-(1-methyl-4-piperidin-1-iumyl)-4-piperidin-1-iumyl]methyl]-5-phenylpentanamide IUPAC Name: N-ethyl-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-5-phenylpentanamide Traditional Name: N-ethyl-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-5-phenyl-valeramide Formula: C25H43N3O+2 MolecularWeight: 401.62842

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CC[NH+](CC1)C2CC[NH+](CC2)C)C(=O)CCCCC3=CC=CC=C3

Isomeric SMILES

CCN(CC1CC[NH+](CC1)C2CC[NH+](CC2)C)C(=O)CCCCC3=CC=CC=C3

InChI

InChI=1S/C25H41N3O/c1-3-27(25(29)12-8-7-11-22-9-5-4-6-10-22)21-23-13-19-28(20-14-23)24-15-17-26(2)18-16-24/h4-6,9-10,23-24H,3,7-8,11-21H2,1-2H3/p+2