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

Systemtic Name: 2-[(4-methylpiperazin-4-ium-1-yl)methylideneamino]-4,5-diphenyl-1-(phenylmethyl)pyrrole-3-carbonitrile Openeye Name: 1-benzyl-2-[(4-methylpiperazin-4-ium-1-yl)methyleneamino]-4,5-diphenyl-pyrrole-3-carbonitrile CAS Name: 2-[(4-methyl-1-piperazin-4-iumyl)methylideneamino]-4,5-diphenyl-1-(phenylmethyl)-3-pyrrolecarbonitrile IUPAC Name: 1-benzyl-2-[(4-methylpiperazin-4-ium-1-yl)methylideneamino]-4,5-diphenylpyrrole-3-carbonitrile Traditional Name: 1-benzyl-2-[(4-methylpiperazin-4-ium-1-yl)methyleneamino]-4,5-diphenyl-pyrrole-3-carbonitrile Formula: C30H30N5+ MolecularWeight: 460.5927

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C=NC2=C(C(=C(N2CC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C=NC2=C(C(=C(N2CC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C30H29N5/c1-33-17-19-34(20-18-33)23-32-30-27(21-31)28(25-13-7-3-8-14-25)29(26-15-9-4-10-16-26)35(30)22-24-11-5-2-6-12-24/h2-16,23H,17-20,22H2,1H3/p+1