N-(cyanomethyl)-2-[3-[4-(4,4-dimethylpiperazin-4-ium-1-yl)phenyl]phenyl]-4-methyl-pentanamide

Systemtic Name: N-(cyanomethyl)-2-[3-[4-(4,4-dimethylpiperazin-4-ium-1-yl)phenyl]phenyl]-4-methyl-pentanamide Openeye Name: N-(cyanomethyl)-2-[3-[4-(4,4-dimethylpiperazin-4-ium-1-yl)phenyl]phenyl]-4-methyl-pentanamide CAS Name: N-(cyanomethyl)-2-[3-[4-(4,4-dimethyl-1-piperazin-4-iumyl)phenyl]phenyl]-4-methylpentanamide IUPAC Name: N-(cyanomethyl)-2-[3-[4-(4,4-dimethylpiperazin-4-ium-1-yl)phenyl]phenyl]-4-methylpentanamide Traditional Name: N-(cyanomethyl)-2-[3-[4-(4,4-dimethylpiperazin-4-ium-1-yl)phenyl]phenyl]-4-methyl-valeramide Formula: C26H35N4O+ MolecularWeight: 419.5823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=CC=C(C=C2)N3CC[N+](CC3)(C)C)C(=O)NCC#N

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=CC=C(C=C2)N3CC[N+](CC3)(C)C)C(=O)NCC#N

InChI

InChI=1S/C26H34N4O/c1-20(2)18-25(26(31)28-13-12-27)23-7-5-6-22(19-23)21-8-10-24(11-9-21)29-14-16-30(3,4)17-15-29/h5-11,19-20,25H,13-18H2,1-4H3/p+1