1-[(3S)-1-[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]piperidin-1-ium-3-yl]-4-phenyl-piperazine

Systemtic Name: 1-[(3S)-1-[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]piperidin-1-ium-3-yl]-4-phenyl-piperazine Openeye Name: 1-[(3S)-1-[1-(1,3-benzodioxol-5-yl)-4-piperidyl]piperidin-1-ium-3-yl]-4-phenyl-piperazine CAS Name: 1-[(3S)-1-[1-(1,3-benzodioxol-5-yl)-4-piperidinyl]-3-piperidin-1-iumyl]-4-phenylpiperazine IUPAC Name: 1-[(3S)-1-[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]piperidin-1-ium-3-yl]-4-phenylpiperazine Traditional Name: 1-[(3S)-1-[1-(1,3-benzodioxol-5-yl)-4-piperidyl]piperidin-1-ium-3-yl]-4-phenyl-piperazine Formula: C27H37N4O2+ MolecularWeight: 449.60828

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCN(CC2)C3=CC4=C(C=C3)OCO4)N5CCN(CC5)C6=CC=CC=C6

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCN(CC2)C3=CC4=C(C=C3)OCO4)N5CCN(CC5)C6=CC=CC=C6

InChI

InChI=1S/C27H36N4O2/c1-2-5-22(6-3-1)29-15-17-30(18-16-29)25-7-4-12-31(20-25)23-10-13-28(14-11-23)24-8-9-26-27(19-24)33-21-32-26/h1-3,5-6,8-9,19,23,25H,4,7,10-18,20-21H2/p+1/t25-/m0/s1