1-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(4-bromoanilino)-2-oxo-ethyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(4-bromoanilino)-2-oxoethyl]-4-(1-piperidin-1-iumyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(4-bromoanilino)-2-oxoethyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(4-bromoanilino)-2-keto-ethyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Formula: C19H29BrN4O2+2 MolecularWeight: 425.36316

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)Br)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)Br)C(=O)N

InChI

InChI=1S/C19H27BrN4O2/c20-15-4-6-16(7-5-15)22-17(25)14-23-12-8-19(9-13-23,18(21)26)24-10-2-1-3-11-24/h4-7H,1-3,8-14H2,(H2,21,26)(H,22,25)/p+2