2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]quinolin-1-ium

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]quinolin-1-ium Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]quinolin-1-ium CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]quinolin-1-ium IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]quinolin-1-ium Traditional Name: 2-(4-piperonylpiperazin-4-ium-1-yl)quinolin-1-ium Formula: C21H23N3O2+2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=[NH+]C5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=[NH+]C5=CC=CC=C5C=C4

InChI

InChI=1S/C21H21N3O2/c1-2-4-18-17(3-1)6-8-21(22-18)24-11-9-23(10-12-24)14-16-5-7-19-20(13-16)26-15-25-19/h1-8,13H,9-12,14-15H2/p+2