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

Systemtic Name: [1-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-(pyridin-3-ylmethyl)azanium Openeye Name: [1-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-4-piperidyl]-(3-pyridylmethyl)ammonium CAS Name: [1-[4-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-4-piperidinyl]-(3-pyridinylmethyl)ammonium IUPAC Name: [1-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-(pyridin-3-ylmethyl)azanium Traditional Name: [1-[4-(piperonylcarbamoyl)phenyl]-4-piperidyl]-(3-pyridylmethyl)ammonium Formula: C26H29N4O3+ MolecularWeight: 445.53346

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]CC2=CN=CC=C2)C3=CC=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC1[NH2+]CC2=CN=CC=C2)C3=CC=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H28N4O3/c31-26(29-16-19-3-8-24-25(14-19)33-18-32-24)21-4-6-23(7-5-21)30-12-9-22(10-13-30)28-17-20-2-1-11-27-15-20/h1-8,11,14-15,22,28H,9-10,12-13,16-18H2,(H,29,31)/p+1