(4-butylphenyl)-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (4-butylphenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-butylphenyl)-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: (4-butylphenyl)-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: (4-butylphenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-butylphenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C16H24N2O/c1-3-4-5-14-6-8-15(9-7-14)16(19)18-12-10-17(2)11-13-18/h6-9H,3-5,10-13H2,1-2H3/p+1