(3S)-N-ethyl-N-(2-methylprop-2-enyl)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-ethyl-N-(2-methylprop-2-enyl)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-ethyl-N-(2-methylallyl)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-ethyl-N-(2-methylprop-2-enyl)-1-(1-phenethyl-4-piperidin-1-iumyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-ethyl-N-(2-methylprop-2-enyl)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-ethyl-N-(2-methylallyl)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Formula: C25H41N3O+2 MolecularWeight: 399.61254

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=C)C)C(=O)C1CCC[NH+](C1)C2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

CCN(CC(=C)C)C(=O)[C@H]1CCC[NH+](C1)C2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C25H39N3O/c1-4-27(19-21(2)3)25(29)23-11-8-15-28(20-23)24-13-17-26(18-14-24)16-12-22-9-6-5-7-10-22/h5-7,9-10,23-24H,2,4,8,11-20H2,1,3H3/p+2/t23-/m0/s1