1,3-benzodioxol-5-ylmethyl-[1-[4-[(3S)-3-oxidanylpiperidin-1-yl]carbonylphenyl]piperidin-4-yl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[1-[4-[(3S)-3-oxidanylpiperidin-1-yl]carbonylphenyl]piperidin-4-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[1-[4-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-4-piperidyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[1-[4-[[(3S)-3-hydroxy-1-piperidinyl]-oxomethyl]phenyl]-4-piperidinyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[1-[4-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]piperidin-4-yl]azanium Traditional Name: [1-[4-[(3S)-3-hydroxypiperidine-1-carbonyl]phenyl]-4-piperidyl]-piperonyl-ammonium Formula: C25H32N3O4+ MolecularWeight: 438.53928

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+]CC4=CC5=C(C=C4)OCO5)O

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+]CC4=CC5=C(C=C4)OCO5)O

InChI

InChI=1S/C25H31N3O4/c29-22-2-1-11-28(16-22)25(30)19-4-6-21(7-5-19)27-12-9-20(10-13-27)26-15-18-3-8-23-24(14-18)32-17-31-23/h3-8,14,20,22,26,29H,1-2,9-13,15-17H2/p+1/t22-/m0/s1