N-[(2S)-2-methylbutyl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[(2S)-2-methylbutyl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-[(2S)-2-methylbutyl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide CAS Name: N-[(2S)-2-methylbutyl]-1-[1-(3-phenylpropyl)-4-piperidin-1-iumyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(2S)-2-methylbutyl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-[(2S)-2-methylbutyl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Formula: C25H43N3O+2 MolecularWeight: 401.62842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H41N3O/c1-3-21(2)20-26-25(29)23-11-18-28(19-12-23)24-13-16-27(17-14-24)15-7-10-22-8-5-4-6-9-22/h4-6,8-9,21,23-24H,3,7,10-20H2,1-2H3,(H,26,29)/p+2/t21-/m0/s1