N-(5-chloranyl-2-methoxy-phenyl)-3-[4-(2-methylphenyl)piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-3-[4-(2-methylphenyl)piperazine-1,4-diium-1-yl]propanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-3-[4-(o-tolyl)piperazine-1,4-diium-1-yl]propanamide CAS Name: N-(5-chloro-2-methoxyphenyl)-3-[4-(2-methylphenyl)-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-3-[4-(2-methylphenyl)piperazine-1,4-diium-1-yl]propanamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-3-[4-(o-tolyl)piperazine-1,4-diium-1-yl]propionamide Formula: C21H28ClN3O2+2 MolecularWeight: 389.91892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1[NH+]2CC[NH+](CC2)CCC(=O)NC3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CC1=CC=CC=C1[NH+]2CC[NH+](CC2)CCC(=O)NC3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C21H26ClN3O2/c1-16-5-3-4-6-19(16)25-13-11-24(12-14-25)10-9-21(26)23-18-15-17(22)7-8-20(18)27-2/h3-8,15H,9-14H2,1-2H3,(H,23,26)/p+2