3-chloranyl-5-methoxy-4-propan-2-yloxy-N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)benzamide

Systemtic Name: 3-chloranyl-5-methoxy-4-propan-2-yloxy-N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)benzamide Openeye Name: 3-chloro-4-isopropoxy-5-methoxy-N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)benzamide CAS Name: 3-chloro-5-methoxy-4-propan-2-yloxy-N-[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]benzamide IUPAC Name: 3-chloro-5-methoxy-4-propan-2-yloxy-N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)benzamide Traditional Name: 3-chloro-4-isopropoxy-5-methoxy-N-(6-pyrrolidinopyridin-1-ium-3-yl)benzamide Formula: C20H25ClN3O3+ MolecularWeight: 390.8838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1Cl)C(=O)NC2=C[NH+]=C(C=C2)N3CCCC3)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1Cl)C(=O)NC2=C[NH+]=C(C=C2)N3CCCC3)OC

InChI

InChI=1S/C20H24ClN3O3/c1-13(2)27-19-16(21)10-14(11-17(19)26-3)20(25)23-15-6-7-18(22-12-15)24-8-4-5-9-24/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,23,25)/p+1