1-ethanoyl-4-(4-methylpiperazin-4-ium-1-yl)piperidine-4-carbonitrile

Systemtic Name: 1-ethanoyl-4-(4-methylpiperazin-4-ium-1-yl)piperidine-4-carbonitrile Openeye Name: 1-acetyl-4-(4-methylpiperazin-4-ium-1-yl)piperidine-4-carbonitrile CAS Name: 1-acetyl-4-(4-methyl-1-piperazin-4-iumyl)-4-piperidinecarbonitrile IUPAC Name: 1-acetyl-4-(4-methylpiperazin-4-ium-1-yl)piperidine-4-carbonitrile Traditional Name: 1-acetyl-4-(4-methylpiperazin-4-ium-1-yl)isonipecotonitrile Formula: C13H23N4O+ MolecularWeight: 251.34792

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)(C#N)N2CC[NH+](CC2)C

Isomeric SMILES

CC(=O)N1CCC(CC1)(C#N)N2CC[NH+](CC2)C

InChI

InChI=1S/C13H22N4O/c1-12(18)16-5-3-13(11-14,4-6-16)17-9-7-15(2)8-10-17/h3-10H2,1-2H3/p+1