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

Systemtic Name: (3S)-N-ethyl-N-(2-methylprop-2-enyl)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-ethyl-N-(2-methylallyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-ethyl-N-(2-methylprop-2-enyl)-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-ethyl-N-(2-methylprop-2-enyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-ethyl-N-(2-methylallyl)piperidin-1-ium-3-carboxamide Formula: C24H39N3O+2 MolecularWeight: 385.58596

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=C)C)C(=O)C1CCC[NH+](C1)C2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCN(CC(=C)C)C(=O)[C@H]1CCC[NH+](C1)C2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H37N3O/c1-4-26(17-20(2)3)24(28)22-11-8-14-27(19-22)23-12-15-25(16-13-23)18-21-9-6-5-7-10-21/h5-7,9-10,22-23H,2,4,8,11-19H2,1,3H3/p+2/t22-/m0/s1