(3S)-N-(2-methylpropyl)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-(2-methylpropyl)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-isobutyl-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-(2-methylpropyl)-1-(1-phenethyl-4-piperidin-1-iumyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-(2-methylpropyl)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-isobutyl-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)CNC(=O)C1CCC[NH+](C1)C2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H37N3O/c1-19(2)17-24-23(27)21-9-6-13-26(18-21)22-11-15-25(16-12-22)14-10-20-7-4-3-5-8-20/h3-5,7-8,19,21-22H,6,9-18H2,1-2H3,(H,24,27)/p+2/t21-/m0/s1