4-[(5-bromanylthiophen-2-yl)methyl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(5-bromanylthiophen-2-yl)methyl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium-1-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: 4-[(5-bromo-2-thiophenyl)methyl]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-carboxamide Formula: C22H31BrN4OS+2 MolecularWeight: 479.47674

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Br)CC4=CC=CC=C4

InChI

InChI=1S/C22H29BrN4OS/c23-21-7-6-20(29-21)17-26-12-14-27(15-13-26)22(28)24-19-8-10-25(11-9-19)16-18-4-2-1-3-5-18/h1-7,19H,8-17H2,(H,24,28)/p+2