(1-methylpiperidin-1-ium-4-yl)-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]azanium

Systemtic Name: (1-methylpiperidin-1-ium-4-yl)-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]azanium Openeye Name: (1-methylpiperidin-1-ium-4-yl)-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]ammonium CAS Name: (1-methyl-4-piperidin-1-iumyl)-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]ammonium IUPAC Name: (1-methylpiperidin-1-ium-4-yl)-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]azanium Traditional Name: [4-(2-ketopyrrolidino)benzyl]-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C17H27N3O+2 MolecularWeight: 289.41578

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH2+]CC2=CC=C(C=C2)N3CCCC3=O

Isomeric SMILES

C[NH+]1CCC(CC1)[NH2+]CC2=CC=C(C=C2)N3CCCC3=O

InChI

InChI=1S/C17H25N3O/c1-19-11-8-15(9-12-19)18-13-14-4-6-16(7-5-14)20-10-2-3-17(20)21/h4-7,15,18H,2-3,8-13H2,1H3/p+2