(3S)-N-tert-butyl-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-tert-butyl-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-tert-butyl-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-tert-butyl-1-(1-phenethyl-4-piperidin-1-iumyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-tert-butyl-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-tert-butyl-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Formula: C23H39N3O+2 MolecularWeight: 373.57526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H37N3O/c1-23(2,3)24-22(27)20-10-7-14-26(18-20)21-12-16-25(17-13-21)15-11-19-8-5-4-6-9-19/h4-6,8-9,20-21H,7,10-18H2,1-3H3,(H,24,27)/p+2/t20-/m0/s1