1,3-benzodioxol-5-ylmethyl-[2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-2-oxoethyl]-methylazanium Traditional Name: [2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C23H32N4O3+2 MolecularWeight: 412.52518

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+](C)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+](C)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H30N4O3/c1-3-26-10-12-27(13-11-26)20-7-5-19(6-8-20)24-23(28)16-25(2)15-18-4-9-21-22(14-18)30-17-29-21/h4-9,14H,3,10-13,15-17H2,1-2H3,(H,24,28)/p+2