[1-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-(1H-indol-2-ylmethyl)azanium

Systemtic Name: [1-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-(1H-indol-2-ylmethyl)azanium Openeye Name: [1-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-4-piperidyl]-(1H-indol-2-ylmethyl)ammonium CAS Name: [1-[4-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-4-piperidinyl]-(1H-indol-2-ylmethyl)ammonium IUPAC Name: [1-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-(1H-indol-2-ylmethyl)azanium Traditional Name: 1H-indol-2-ylmethyl-[1-[4-(piperonylcarbamoyl)phenyl]-4-piperidyl]ammonium Formula: C29H31N4O3+ MolecularWeight: 483.58144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]CC2=CC3=CC=CC=C3N2)C4=CC=C(C=C4)C(=O)NCC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CCC1[NH2+]CC2=CC3=CC=CC=C3N2)C4=CC=C(C=C4)C(=O)NCC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H30N4O3/c34-29(31-17-20-5-10-27-28(15-20)36-19-35-27)21-6-8-25(9-7-21)33-13-11-23(12-14-33)30-18-24-16-22-3-1-2-4-26(22)32-24/h1-10,15-16,23,30,32H,11-14,17-19H2,(H,31,34)/p+1