1-(furan-2-ylmethyl)-2-[(4-methylpiperazin-4-ium-1-yl)methylideneamino]-4,5-diphenyl-pyrrole-3-carbonitrile

Systemtic Name: 1-(furan-2-ylmethyl)-2-[(4-methylpiperazin-4-ium-1-yl)methylideneamino]-4,5-diphenyl-pyrrole-3-carbonitrile Openeye Name: 1-(2-furylmethyl)-2-[(4-methylpiperazin-4-ium-1-yl)methyleneamino]-4,5-diphenyl-pyrrole-3-carbonitrile CAS Name: 1-(2-furanylmethyl)-2-[(4-methyl-1-piperazin-4-iumyl)methylideneamino]-4,5-diphenyl-3-pyrrolecarbonitrile IUPAC Name: 1-(furan-2-ylmethyl)-2-[(4-methylpiperazin-4-ium-1-yl)methylideneamino]-4,5-diphenylpyrrole-3-carbonitrile Traditional Name: 1-(2-furfuryl)-2-[(4-methylpiperazin-4-ium-1-yl)methyleneamino]-4,5-diphenyl-pyrrole-3-carbonitrile Formula: C28H28N5O+ MolecularWeight: 450.55482

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C=NC2=C(C(=C(N2CC3=CC=CO3)C4=CC=CC=C4)C5=CC=CC=C5)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C=NC2=C(C(=C(N2CC3=CC=CO3)C4=CC=CC=C4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C28H27N5O/c1-31-14-16-32(17-15-31)21-30-28-25(19-29)26(22-9-4-2-5-10-22)27(23-11-6-3-7-12-23)33(28)20-24-13-8-18-34-24/h2-13,18,21H,14-17,20H2,1H3/p+1