2-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]carbonyl-(phenylmethyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]carbonyl-(phenylmethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-carbonyl]-benzyl-amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidin-1-iumyl]-oxomethyl]-(phenylmethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-carbonyl]-benzylamino]ethyl-dimethylazanium Traditional Name: 2-[benzyl-(1-piperonylpiperidin-1-ium-4-carbonyl)amino]ethyl-dimethyl-ammonium Formula: C25H35N3O3+2 MolecularWeight: 425.5637

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1=CC=CC=C1)C(=O)C2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[NH+](C)CCN(CC1=CC=CC=C1)C(=O)C2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H33N3O3/c1-26(2)14-15-28(18-20-6-4-3-5-7-20)25(29)22-10-12-27(13-11-22)17-21-8-9-23-24(16-21)31-19-30-23/h3-9,16,22H,10-15,17-19H2,1-2H3/p+2