furan-2-ylmethyl-methyl-[2-[4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]azanium

Systemtic Name: furan-2-ylmethyl-methyl-[2-[4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: 2-furylmethyl-methyl-[2-[4-[2-(4-methylanilino)-2-oxo-ethyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]ammonium CAS Name: 2-furanylmethyl-methyl-[2-[4-[2-(4-methylanilino)-2-oxoethyl]-1-piperazin-4-iumyl]-2-oxoethyl]ammonium IUPAC Name: furan-2-ylmethyl-methyl-[2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]azanium Traditional Name: 2-furfuryl-[2-keto-2-[4-[2-keto-2-(p-toluidino)ethyl]piperazin-4-ium-1-yl]ethyl]-methyl-ammonium Formula: C21H30N4O3+2 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C[NH+](C)CC3=CC=CO3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C[NH+](C)CC3=CC=CO3

InChI

InChI=1S/C21H28N4O3/c1-17-5-7-18(8-6-17)22-20(26)15-24-9-11-25(12-10-24)21(27)16-23(2)14-19-4-3-13-28-19/h3-8,13H,9-12,14-16H2,1-2H3,(H,22,26)/p+2