N-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-3-(4-methylpiperazin-4-ium-1-yl)propanamide

Systemtic Name: N-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-3-(4-methylpiperazin-4-ium-1-yl)propanamide Openeye Name: N-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methyleneamino]-3-(4-methylpiperazin-4-ium-1-yl)propanamide CAS Name: N-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-3-(4-methyl-1-piperazin-4-iumyl)propanamide IUPAC Name: N-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-3-(4-methylpiperazin-4-ium-1-yl)propanamide Traditional Name: N-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methyleneamino]-3-(4-methylpiperazin-4-ium-1-yl)propionamide Formula: C17H25N4O4+ MolecularWeight: 349.4048

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCC(=O)NN=CC2=CC3=C(C(=C2)OC)OCO3

Isomeric SMILES

C[NH+]1CCN(CC1)CCC(=O)N/N=C\C2=CC3=C(C(=C2)OC)OCO3

InChI

InChI=1S/C17H24N4O4/c1-20-5-7-21(8-6-20)4-3-16(22)19-18-11-13-9-14(23-2)17-15(10-13)24-12-25-17/h9-11H,3-8,12H2,1-2H3,(H,19,22)/p+1/b18-11-