N-[[3-[3-[(1-methylpiperazin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[3-[3-[(1-methylpiperazin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[3-[3-[(1-methylpiperazin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[3-[3-[(1-methyl-1-piperazin-1-iumyl)methyl]phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[3-[3-[(1-methylpiperazin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-[3-[(1-methylpiperazin-1-ium-1-yl)methyl]phenyl]benzyl]-piperonylamide Formula: C27H30N3O3+ MolecularWeight: 444.5454

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)CC2=CC=CC(=C2)C3=CC(=CC=C3)CNC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C[N+]1(CCNCC1)CC2=CC=CC(=C2)C3=CC(=CC=C3)CNC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H29N3O3/c1-30(12-10-28-11-13-30)18-21-5-3-7-23(15-21)22-6-2-4-20(14-22)17-29-27(31)24-8-9-25-26(16-24)33-19-32-25/h2-9,14-16,28H,10-13,17-19H2,1H3/p+1