1,3-benzodioxol-5-ylmethyl-[1-[3-(pyridin-3-ylcarbonylamino)phenyl]piperidin-4-yl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[1-[3-(pyridin-3-ylcarbonylamino)phenyl]piperidin-4-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[1-[3-(pyridine-3-carbonylamino)phenyl]-4-piperidyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[1-[3-[[oxo(3-pyridinyl)methyl]amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[1-[3-(pyridine-3-carbonylamino)phenyl]piperidin-4-yl]azanium Traditional Name: [1-(3-nicotinamidophenyl)-4-piperidyl]-piperonyl-ammonium Formula: C25H27N4O3+ MolecularWeight: 431.50688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]CC2=CC3=C(C=C2)OCO3)C4=CC(=CC=C4)NC(=O)C5=CN=CC=C5

Isomeric SMILES

C1CN(CCC1[NH2+]CC2=CC3=C(C=C2)OCO3)C4=CC(=CC=C4)NC(=O)C5=CN=CC=C5

InChI

InChI=1S/C25H26N4O3/c30-25(19-3-2-10-26-16-19)28-21-4-1-5-22(14-21)29-11-8-20(9-12-29)27-15-18-6-7-23-24(13-18)32-17-31-23/h1-7,10,13-14,16,20,27H,8-9,11-12,15,17H2,(H,28,30)/p+1