[1-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-prop-2-enyl-azanium

Systemtic Name: [1-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-prop-2-enyl-azanium Openeye Name: allyl-[1-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-4-piperidyl]ammonium CAS Name: [1-[4-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-4-piperidinyl]-prop-2-enylammonium IUPAC Name: [1-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]piperidin-4-yl]-prop-2-enylazanium Traditional Name: allyl-[1-[4-(piperonylcarbamoyl)phenyl]-4-piperidyl]ammonium Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH2+]C1CCN(CC1)C2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C=CC[NH2+]C1CCN(CC1)C2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H27N3O3/c1-2-11-24-19-9-12-26(13-10-19)20-6-4-18(5-7-20)23(27)25-15-17-3-8-21-22(14-17)29-16-28-21/h2-8,14,19,24H,1,9-13,15-16H2,(H,25,27)/p+1