1-[(4-bromophenyl)methyl]-N-[(Z)-thiophen-2-ylmethylideneamino]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-thiophen-2-ylmethylideneamino]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-2-thienylmethyleneamino]piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-thiophen-2-ylmethylideneamino]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-thiophen-2-ylmethylideneamino]piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-bromobenzyl)-N-[(Z)-2-thenylideneamino]piperidin-1-ium-4-carboxamide Formula: C18H21BrN3OS+ MolecularWeight: 407.34784

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NN=CC2=CC=CS2)CC3=CC=C(C=C3)Br

Isomeric SMILES

C1C[NH+](CCC1C(=O)N/N=C\C2=CC=CS2)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H20BrN3OS/c19-16-5-3-14(4-6-16)13-22-9-7-15(8-10-22)18(23)21-20-12-17-2-1-11-24-17/h1-6,11-12,15H,7-10,13H2,(H,21,23)/p+1/b20-12-