(3S)-N-(1,3-benzodioxol-5-yl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[1-(2-pyridylmethyl)-4-piperidyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[1-(2-pyridinylmethyl)-4-piperidinyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-1-ium-3-amine Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-[1-(2-pyridylmethyl)-4-piperidyl]piperidin-1-ium-3-yl]amine Formula: C23H31N4O2+ MolecularWeight: 395.51784

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCN(CC2)CC3=CC=CC=N3)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCN(CC2)CC3=CC=CC=N3)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H30N4O2/c1-2-10-24-19(4-1)15-26-12-8-21(9-13-26)27-11-3-5-20(16-27)25-18-6-7-22-23(14-18)29-17-28-22/h1-2,4,6-7,10,14,20-21,25H,3,5,8-9,11-13,15-17H2/p+1/t20-/m0/s1