4-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-5-methyl-2-pyrrol-1-yl-furan-3-carbonitrile

Systemtic Name: 4-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]carbonyl-5-methyl-2-pyrrol-1-yl-furan-3-carbonitrile Openeye Name: 4-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carbonyl]-5-methyl-2-pyrrol-1-yl-furan-3-carbonitrile CAS Name: 4-[[4-[(4-cyanophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-5-methyl-2-(1-pyrrolyl)-3-furancarbonitrile IUPAC Name: 4-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carbonyl]-5-methyl-2-pyrrol-1-ylfuran-3-carbonitrile Traditional Name: 4-[4-(4-cyanobenzyl)piperazin-4-ium-1-carbonyl]-5-methyl-2-pyrrol-1-yl-3-furonitrile Formula: C23H22N5O2+ MolecularWeight: 400.45308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H21N5O2/c1-17-21(20(15-25)23(30-17)28-8-2-3-9-28)22(29)27-12-10-26(11-13-27)16-19-6-4-18(14-24)5-7-19/h2-9H,10-13,16H2,1H3/p+1