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

Systemtic Name: (4-butylphenyl)-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-butylphenyl)-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: (4-butylphenyl)-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: (4-butylphenyl)-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-butylphenyl)-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C17H27N2O+ MolecularWeight: 275.40908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O/c1-3-5-6-15-7-9-16(10-8-15)17(20)19-13-11-18(4-2)12-14-19/h7-10H,3-6,11-14H2,1-2H3/p+1