4-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]butanenitrile

Systemtic Name: 4-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]butanenitrile Openeye Name: 4-[(1-benzylpiperidin-1-ium-4-yl)amino]butanenitrile CAS Name: 4-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]butanenitrile IUPAC Name: 4-[(1-benzylpiperidin-1-ium-4-yl)amino]butanenitrile Traditional Name: 4-[(1-benzylpiperidin-1-ium-4-yl)amino]butyronitrile Formula: C16H24N3+ MolecularWeight: 258.38186

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NCCCC#N)CC2=CC=CC=C2

Isomeric SMILES

C1C[NH+](CCC1NCCCC#N)CC2=CC=CC=C2

InChI

InChI=1S/C16H23N3/c17-10-4-5-11-18-16-8-12-19(13-9-16)14-15-6-2-1-3-7-15/h1-3,6-7,16,18H,4-5,8-9,11-14H2/p+1