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

Systemtic Name: [1-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-(3-pyridin-3-ylpropyl)azanium Openeye Name: [1-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-4-piperidyl]-[3-(3-pyridyl)propyl]ammonium CAS Name: [1-[4-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-4-piperidinyl]-[3-(3-pyridinyl)propyl]ammonium IUPAC Name: [1-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-(3-pyridin-3-ylpropyl)azanium Traditional Name: [1-[4-(piperonylcarbamoyl)phenyl]-4-piperidyl]-[3-(3-pyridyl)propyl]ammonium Formula: C28H33N4O3+ MolecularWeight: 473.58662

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]CCCC2=CN=CC=C2)C3=CC=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC1[NH2+]CCCC2=CN=CC=C2)C3=CC=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H32N4O3/c33-28(31-19-22-5-10-26-27(17-22)35-20-34-26)23-6-8-25(9-7-23)32-15-11-24(12-16-32)30-14-2-4-21-3-1-13-29-18-21/h1,3,5-10,13,17-18,24,30H,2,4,11-12,14-16,19-20H2,(H,31,33)/p+1