2-chloranyl-6-(3-piperidin-1-ium-1-ylpropylamino)benzenecarbonitrile

Systemtic Name: 2-chloranyl-6-(3-piperidin-1-ium-1-ylpropylamino)benzenecarbonitrile Openeye Name: 2-chloro-6-(3-piperidin-1-ium-1-ylpropylamino)benzonitrile CAS Name: 2-chloro-6-[3-(1-piperidin-1-iumyl)propylamino]benzonitrile IUPAC Name: 2-chloro-6-(3-piperidin-1-ium-1-ylpropylamino)benzonitrile Traditional Name: 2-chloro-6-(3-piperidin-1-ium-1-ylpropylamino)benzonitrile Formula: C15H21ClN3+ MolecularWeight: 278.80034

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCNC2=C(C(=CC=C2)Cl)C#N

Isomeric SMILES

C1CC[NH+](CC1)CCCNC2=C(C(=CC=C2)Cl)C#N

InChI

InChI=1S/C15H20ClN3/c16-14-6-4-7-15(13(14)12-17)18-8-5-11-19-9-2-1-3-10-19/h4,6-7,18H,1-3,5,8-11H2/p+1