(3R)-1-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-5-oxidanylidene-pyrrolidine-3-carbonitrile

Systemtic Name: (3R)-1-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-5-oxidanylidene-pyrrolidine-3-carbonitrile Openeye Name: (3R)-1-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-5-oxo-pyrrolidine-3-carbonitrile CAS Name: (3R)-1-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-5-oxo-3-pyrrolidinecarbonitrile IUPAC Name: (3R)-1-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-5-oxopyrrolidine-3-carbonitrile Traditional Name: (3R)-5-keto-1-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]pyrrolidine-3-carbonitrile Formula: C16H21N4O+ MolecularWeight: 285.36414

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)N3CC(CC3=O)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)N3C[C@@H](CC3=O)C#N

InChI

InChI=1S/C16H20N4O/c1-18-6-8-19(9-7-18)14-2-4-15(5-3-14)20-12-13(11-17)10-16(20)21/h2-5,13H,6-10,12H2,1H3/p+1/t13-/m0/s1