4-azanyl-5-chloranyl-2-methoxy-N-[1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]benzamide chloride

Systemtic Name: 4-azanyl-5-chloranyl-2-methoxy-N-[1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]benzamide chloride Openeye Name: 4-amino-5-chloro-N-[1-[(E)-cinnamyl]piperidin-1-ium-4-yl]-2-methoxy-benzamide chloride CAS Name: 4-amino-5-chloro-2-methoxy-N-[1-[(E)-3-phenylprop-2-enyl]-4-piperidin-1-iumyl]benzamide chloride IUPAC Name: 4-amino-5-chloro-2-methoxy-N-[1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]benzamide chloride Traditional Name: 4-amino-5-chloro-N-[1-[(E)-cinnamyl]piperidin-1-ium-4-yl]-2-methoxy-benzamide chloride Formula: C22H27Cl2N3O2 MolecularWeight: 436.37468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NC2CC[NH+](CC2)CC=CC3=CC=CC=C3)Cl)N.[Cl-]

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)NC2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)Cl)N.[Cl-]

InChI

InChI=1S/C22H26ClN3O2.ClH/c1-28-21-15-20(24)19(23)14-18(21)22(27)25-17-9-12-26(13-10-17)11-5-8-16-6-3-2-4-7-16;/h2-8,14-15,17H,9-13,24H2,1H3,(H,25,27);1H/b8-5+;