4-(phenethylamino)-1-(phenylmethyl)piperidin-1-ium-1-carbonitrile

Systemtic Name: 4-(phenethylamino)-1-(phenylmethyl)piperidin-1-ium-1-carbonitrile Openeye Name: 1-benzyl-4-(phenethylamino)piperidin-1-ium-1-carbonitrile CAS Name: 4-(phenethylamino)-1-(phenylmethyl)-1-piperidin-1-iumcarbonitrile IUPAC Name: 1-benzyl-4-(phenethylamino)piperidin-1-ium-1-carbonitrile Traditional Name: 1-benzyl-4-(phenethylamino)piperidin-1-ium-1-carbonitrile Formula: C21H26N3+ MolecularWeight: 320.45124

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCC1NCCC2=CC=CC=C2)(CC3=CC=CC=C3)C#N

Isomeric SMILES

C1C[N+](CCC1NCCC2=CC=CC=C2)(CC3=CC=CC=C3)C#N

InChI

InChI=1S/C21H26N3/c22-18-24(17-20-9-5-2-6-10-20)15-12-21(13-16-24)23-14-11-19-7-3-1-4-8-19/h1-10,21,23H,11-17H2/q+1