(4-bromanyl-5-propyl-thiophen-2-yl)-(4-prop-2-enylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (4-bromanyl-5-propyl-thiophen-2-yl)-(4-prop-2-enylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-allylpiperazin-4-ium-1-yl)-(4-bromo-5-propyl-2-thienyl)methanone CAS Name: (4-bromo-5-propyl-2-thiophenyl)-(4-prop-2-enyl-1-piperazin-4-iumyl)methanone IUPAC Name: (4-bromo-5-propylthiophen-2-yl)-(4-prop-2-enylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-allylpiperazin-4-ium-1-yl)-(4-bromo-5-propyl-2-thienyl)methanone Formula: C15H22BrN2OS+ MolecularWeight: 358.31698

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(S1)C(=O)N2CC[NH+](CC2)CC=C)Br

Isomeric SMILES

CCCC1=C(C=C(S1)C(=O)N2CC[NH+](CC2)CC=C)Br

InChI

InChI=1S/C15H21BrN2OS/c1-3-5-13-12(16)11-14(20-13)15(19)18-9-7-17(6-4-2)8-10-18/h4,11H,2-3,5-10H2,1H3/p+1