1-[1-[(3S)-3-oxidanylbutyl]piperidin-1-ium-4-yl]-N-phenethyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[1-[(3S)-3-oxidanylbutyl]piperidin-1-ium-4-yl]-N-phenethyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-[(3S)-3-hydroxybutyl]piperidin-1-ium-4-yl]-N-phenethyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[1-[(3S)-3-hydroxybutyl]-4-piperidin-1-iumyl]-N-phenethyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-[(3S)-3-hydroxybutyl]piperidin-1-ium-4-yl]-N-phenethylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[1-[(3S)-3-hydroxybutyl]piperidin-1-ium-4-yl]-N-phenethyl-piperidin-1-ium-4-carboxamide Formula: C23H39N3O2+2 MolecularWeight: 389.57466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H37N3O2/c1-19(27)8-14-25-15-11-22(12-16-25)26-17-9-21(10-18-26)23(28)24-13-7-20-5-3-2-4-6-20/h2-6,19,21-22,27H,7-18H2,1H3,(H,24,28)/p+2/t19-/m0/s1