2-[(3R)-3-[3-[(5-chloranyl-2-methoxy-phenyl)amino]-3-oxidanylidene-propyl]piperidin-1-yl]pyridin-1-ium-3-carboxamide

Systemtic Name: 2-[(3R)-3-[3-[(5-chloranyl-2-methoxy-phenyl)amino]-3-oxidanylidene-propyl]piperidin-1-yl]pyridin-1-ium-3-carboxamide Openeye Name: 2-[(3R)-3-[3-(5-chloro-2-methoxy-anilino)-3-oxo-propyl]-1-piperidyl]pyridin-1-ium-3-carboxamide CAS Name: 2-[(3R)-3-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-1-piperidinyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 2-[(3R)-3-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]piperidin-1-yl]pyridin-1-ium-3-carboxamide Traditional Name: 2-[(3R)-3-[3-(5-chloro-2-methoxy-anilino)-3-keto-propyl]piperidino]pyridin-1-ium-3-carboxamide Formula: C21H26ClN4O3+ MolecularWeight: 417.90914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)CCC2CCCN(C2)C3=C(C=CC=[NH+]3)C(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)CC[C@H]2CCCN(C2)C3=C(C=CC=[NH+]3)C(=O)N

InChI

InChI=1S/C21H25ClN4O3/c1-29-18-8-7-15(22)12-17(18)25-19(27)9-6-14-4-3-11-26(13-14)21-16(20(23)28)5-2-10-24-21/h2,5,7-8,10,12,14H,3-4,6,9,11,13H2,1H3,(H2,23,28)(H,25,27)/p+1/t14-/m1/s1