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

Systemtic Name: [1-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-(3-pyrazol-1-ylpropyl)azanium Openeye Name: [1-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-4-piperidyl]-(3-pyrazol-1-ylpropyl)ammonium CAS Name: [1-[4-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-4-piperidinyl]-[3-(1-pyrazolyl)propyl]ammonium IUPAC Name: [1-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-(3-pyrazol-1-ylpropyl)azanium Traditional Name: [1-[4-(piperonylcarbamoyl)phenyl]-4-piperidyl]-(3-pyrazol-1-ylpropyl)ammonium Formula: C26H32N5O3+ MolecularWeight: 462.56398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]CCCN2C=CC=N2)C3=CC=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC1[NH2+]CCCN2C=CC=N2)C3=CC=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H31N5O3/c32-26(28-18-20-3-8-24-25(17-20)34-19-33-24)21-4-6-23(7-5-21)30-15-9-22(10-16-30)27-11-1-13-31-14-2-12-29-31/h2-8,12,14,17,22,27H,1,9-11,13,15-16,18-19H2,(H,28,32)/p+1