[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-[4-(methoxymethyl)phenyl]methanone

Systemtic Name: [4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-[4-(methoxymethyl)phenyl]methanone Openeye Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-[4-(methoxymethyl)phenyl]methanone CAS Name: [4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-[4-(methoxymethyl)phenyl]methanone IUPAC Name: [4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-[4-(methoxymethyl)phenyl]methanone Traditional Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-[4-(methoxymethyl)phenyl]methanone Formula: C18H22BrN2O2S+ MolecularWeight: 410.34848

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br

Isomeric SMILES

COCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br

InChI

InChI=1S/C18H21BrN2O2S/c1-23-13-14-2-4-15(5-3-14)18(22)21-10-8-20(9-11-21)12-16-6-7-17(19)24-16/h2-7H,8-13H2,1H3/p+1