(5-chloranyl-2-phenylmethoxy-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (5-chloranyl-2-phenylmethoxy-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (2-benzyloxy-5-chloro-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (5-chloro-2-phenylmethoxyphenyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (5-chloro-2-phenylmethoxyphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (2-benzoxy-5-chloro-phenyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C23H23ClN3O2+ MolecularWeight: 408.90062

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=C(C=CC(=C3)Cl)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=C(C=CC(=C3)Cl)OCC4=CC=CC=C4

InChI

InChI=1S/C23H22ClN3O2/c24-19-9-10-21(29-17-18-6-2-1-3-7-18)20(16-19)23(28)27-14-12-26(13-15-27)22-8-4-5-11-25-22/h1-11,16H,12-15,17H2/p+1