N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]-piperonylamide Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O3/c1-16-3-2-4-18(13-16)24-11-9-23(10-12-24)8-7-22-21(25)17-5-6-19-20(14-17)27-15-26-19/h2-6,13-14H,7-12,15H2,1H3,(H,22,25)/p+1