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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(C#N)NCCC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1(C#N)NCCC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3/c22-18-21(23-14-11-19-7-3-1-4-8-19)12-15-24(16-13-21)17-20-9-5-2-6-10-20/h1-10,23H,11-17H2/p+1