4-(4-chloranyl-3-methyl-phenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]butanamide

Systemtic Name: 4-(4-chloranyl-3-methyl-phenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]butanamide Openeye Name: 4-(4-chloro-3-methyl-phenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]butanamide CAS Name: 4-(4-chloro-3-methylphenoxy)-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]butanamide IUPAC Name: 4-(4-chloro-3-methylphenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]butanamide Traditional Name: 4-(4-chloro-3-methyl-phenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]butyramide Formula: C21H28ClN4O2+ MolecularWeight: 403.92562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C)Cl

InChI

InChI=1S/C21H27ClN4O2/c1-16-14-18(6-7-19(16)22)28-13-3-4-21(27)24-17-5-8-20(23-15-17)26-11-9-25(2)10-12-26/h5-8,14-15H,3-4,9-13H2,1-2H3,(H,24,27)/p+1