1-[(4-bromophenyl)methyl]-N-[(Z)-1-phenylpropylideneamino]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-1-phenylpropylideneamino]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-1-phenylpropylideneamino]piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-1-phenylpropylideneamino]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-1-phenylpropylideneamino]piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-bromobenzyl)-N-[(Z)-1-phenylpropylideneamino]piperidin-1-ium-4-carboxamide Formula: C22H27BrN3O+ MolecularWeight: 429.37328

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC(=O)C1CC[NH+](CC1)CC2=CC=C(C=C2)Br)C3=CC=CC=C3

Isomeric SMILES

CC/C(=N/NC(=O)C1CC[NH+](CC1)CC2=CC=C(C=C2)Br)/C3=CC=CC=C3

InChI

InChI=1S/C22H26BrN3O/c1-2-21(18-6-4-3-5-7-18)24-25-22(27)19-12-14-26(15-13-19)16-17-8-10-20(23)11-9-17/h3-11,19H,2,12-16H2,1H3,(H,25,27)/p+1/b24-21-