(3-bromanyl-5-ethoxy-4-methoxy-phenyl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-bromanyl-5-ethoxy-4-methoxy-phenyl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3-bromo-5-ethoxy-4-methoxy-phenyl)-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3-bromo-5-ethoxy-4-methoxyphenyl)-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3-bromo-5-ethoxy-4-methoxyphenyl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3-bromo-5-ethoxy-4-methoxy-phenyl)-[4-(2-thenyl)piperazin-4-ium-1-yl]methanone Formula: C19H24BrN2O3S+ MolecularWeight: 440.37446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CS3)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CS3)Br)OC

InChI

InChI=1S/C19H23BrN2O3S/c1-3-25-17-12-14(11-16(20)18(17)24-2)19(23)22-8-6-21(7-9-22)13-15-5-4-10-26-15/h4-5,10-12H,3,6-9,13H2,1-2H3/p+1