6-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]pyridine-3-carbonitrile

Systemtic Name: 6-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]pyridine-3-carbonitrile Openeye Name: 6-[(1-benzylpiperidin-1-ium-4-yl)amino]pyridine-3-carbonitrile CAS Name: 6-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]-3-pyridinecarbonitrile IUPAC Name: 6-[(1-benzylpiperidin-1-ium-4-yl)amino]pyridine-3-carbonitrile Traditional Name: 6-[(1-benzylpiperidin-1-ium-4-yl)amino]nicotinonitrile Formula: C18H21N4+ MolecularWeight: 293.38614

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC2=NC=C(C=C2)C#N)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC2=NC=C(C=C2)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C18H20N4/c19-12-16-6-7-18(20-13-16)21-17-8-10-22(11-9-17)14-15-4-2-1-3-5-15/h1-7,13,17H,8-11,14H2,(H,20,21)/p+1