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

Systemtic Name: 1-[1-[(2S)-2-methylbutyl]piperidin-1-ium-4-yl]-N-phenethyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-[(2S)-2-methylbutyl]piperidin-1-ium-4-yl]-N-phenethyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[1-[(2S)-2-methylbutyl]-4-piperidin-1-iumyl]-N-phenethyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-[(2S)-2-methylbutyl]piperidin-1-ium-4-yl]-N-phenethylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[1-[(2S)-2-methylbutyl]piperidin-1-ium-4-yl]-N-phenethyl-piperidin-1-ium-4-carboxamide Formula: C24H41N3O+2 MolecularWeight: 387.60184

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C[NH+]1CCC(CC1)[NH+]2CCC(CC2)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)C[NH+]1CCC(CC1)[NH+]2CCC(CC2)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C24H39N3O/c1-3-20(2)19-26-15-12-23(13-16-26)27-17-10-22(11-18-27)24(28)25-14-9-21-7-5-4-6-8-21/h4-8,20,22-23H,3,9-19H2,1-2H3,(H,25,28)/p+2/t20-/m0/s1