N-(5-chloranyl-2-methoxy-phenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: N-(5-chloro-2-methoxyphenyl)-3-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C19H25ClN4O2+2 MolecularWeight: 376.8804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H23ClN4O2/c1-26-17-6-5-15(20)14-16(17)22-19(25)7-9-23-10-12-24(13-11-23)18-4-2-3-8-21-18/h2-6,8,14H,7,9-13H2,1H3,(H,22,25)/p+2