N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]-3-bromanyl-5-methoxy-4-phenylmethoxy-benzamide

Systemtic Name: N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]-3-bromanyl-5-methoxy-4-phenylmethoxy-benzamide Openeye Name: N-[1-(2-amino-2-oxo-ethyl)piperidin-1-ium-4-yl]-4-benzyloxy-3-bromo-5-methoxy-benzamide CAS Name: N-[1-(2-amino-2-oxoethyl)-4-piperidin-1-iumyl]-3-bromo-5-methoxy-4-phenylmethoxybenzamide IUPAC Name: N-[1-(2-amino-2-oxoethyl)piperidin-1-ium-4-yl]-3-bromo-5-methoxy-4-phenylmethoxybenzamide Traditional Name: N-[1-(2-amino-2-keto-ethyl)piperidin-1-ium-4-yl]-4-benzoxy-3-bromo-5-methoxy-benzamide Formula: C22H27BrN3O4+ MolecularWeight: 477.37148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)NC2CC[NH+](CC2)CC(=O)N)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)NC2CC[NH+](CC2)CC(=O)N)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C22H26BrN3O4/c1-29-19-12-16(11-18(23)21(19)30-14-15-5-3-2-4-6-15)22(28)25-17-7-9-26(10-8-17)13-20(24)27/h2-6,11-12,17H,7-10,13-14H2,1H3,(H2,24,27)(H,25,28)/p+1