4-bromanyl-N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]amino]-3-oxidanylidene-propyl]benzamide

Systemtic Name: 4-bromanyl-N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]amino]-3-oxidanylidene-propyl]benzamide Openeye Name: 4-bromo-N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]amino]-3-oxo-propyl]benzamide CAS Name: 4-bromo-N-[3-[[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]amino]-3-oxopropyl]benzamide IUPAC Name: 4-bromo-N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]amino]-3-oxopropyl]benzamide Traditional Name: 4-bromo-N-[3-[[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]amino]-3-keto-propyl]benzamide Formula: C22H26BrClN3O2+ MolecularWeight: 479.81774

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CCNC(=O)C2=CC=C(C=C2)Br)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CCNC(=O)C2=CC=C(C=C2)Br)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H25BrClN3O2/c23-18-5-3-17(4-6-18)22(29)25-12-9-21(28)26-20-10-13-27(14-11-20)15-16-1-7-19(24)8-2-16/h1-8,20H,9-15H2,(H,25,29)(H,26,28)/p+1