N-ethyl-N-(2-methylprop-2-enyl)-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-ethyl-N-(2-methylprop-2-enyl)-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-ethyl-N-(2-methylallyl)-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide CAS Name: N-ethyl-N-(2-methylprop-2-enyl)-1-[1-(3-phenylpropyl)-4-piperidin-1-iumyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-ethyl-N-(2-methylprop-2-enyl)-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-ethyl-N-(2-methylallyl)-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Formula: C26H43N3O+2 MolecularWeight: 413.63912

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=C)C)C(=O)C1CC[NH+](CC1)C2CC[NH+](CC2)CCCC3=CC=CC=C3

Isomeric SMILES

CCN(CC(=C)C)C(=O)C1CC[NH+](CC1)C2CC[NH+](CC2)CCCC3=CC=CC=C3

InChI

InChI=1S/C26H41N3O/c1-4-28(21-22(2)3)26(30)24-12-19-29(20-13-24)25-14-17-27(18-15-25)16-8-11-23-9-6-5-7-10-23/h5-7,9-10,24-25H,2,4,8,11-21H2,1,3H3/p+2