6-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]pyridine-3-carbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C2=NC=C(C=C2)C#N)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCN(C1)C2=NC=C(C=C2)C#N)CC3=CC=CC=C3

InChI

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