[6-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]pyridin-3-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [6-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]pyridin-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-3-pyridyl]-pyrrolidin-1-yl-methanone CAS Name: [6-[4-[2-(4-chlorophenoxy)ethyl]-1-piperazin-4-iumyl]-3-pyridinyl]-(1-pyrrolidinyl)methanone IUPAC Name: [6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]pyridin-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-3-pyridyl]-pyrrolidino-methanone Formula: C22H28ClN4O2+ MolecularWeight: 415.93632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CN=C(C=C2)N3CC[NH+](CC3)CCOC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)C(=O)C2=CN=C(C=C2)N3CC[NH+](CC3)CCOC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H27ClN4O2/c23-19-4-6-20(7-5-19)29-16-15-25-11-13-26(14-12-25)21-8-3-18(17-24-21)22(28)27-9-1-2-10-27/h3-8,17H,1-2,9-16H2/p+1