3-chloranyl-4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-3-chloro-benzonitrile CAS Name: 3-chloro-4-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-3-chlorobenzonitrile Traditional Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-3-chloro-benzonitrile Formula: C20H22ClN2+ MolecularWeight: 325.85508

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=C(C=C(C=C3)C#N)Cl

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=C(C=C(C=C3)C#N)Cl

InChI

InChI=1S/C20H21ClN2/c21-20-13-18(14-22)6-7-19(20)15-23-10-8-17(9-11-23)12-16-4-2-1-3-5-16/h1-7,13,17H,8-12,15H2/p+1