[4-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-(quinolin-3-ylmethyl)azanium

Systemtic Name: [4-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-(quinolin-3-ylmethyl)azanium Openeye Name: [4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-(3-quinolylmethyl)ammonium CAS Name: [4-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]methyl-(3-quinolinylmethyl)ammonium IUPAC Name: [4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]methyl-(quinolin-3-ylmethyl)azanium Traditional Name: [4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzyl]-(3-quinolylmethyl)ammonium Formula: C25H33N3O2+2 MolecularWeight: 407.54842

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(COC2=CC=C(C=C2)C[NH2+]CC3=CC4=CC=CC=C4N=C3)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](COC2=CC=C(C=C2)C[NH2+]CC3=CC4=CC=CC=C4N=C3)O

InChI

InChI=1S/C25H31N3O2/c29-23(18-28-12-4-1-5-13-28)19-30-24-10-8-20(9-11-24)15-26-16-21-14-22-6-2-3-7-25(22)27-17-21/h2-3,6-11,14,17,23,26,29H,1,4-5,12-13,15-16,18-19H2/p+2/t23-/m0/s1