(3R)-3-(phenylmethyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-ium-7-carbonitrile

Systemtic Name: (3R)-3-(phenylmethyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-ium-7-carbonitrile Openeye Name: (3R)-3-benzyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-ium-7-carbonitrile CAS Name: (3R)-3-(phenylmethyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-ium-7-carbonitrile IUPAC Name: (3R)-3-benzyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-ium-7-carbonitrile Traditional Name: (3R)-3-benzyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-ium-7-carbonitrile Formula: C17H18N3+ MolecularWeight: 264.34492

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]CC2=C(N1)C=CC(=C2)C#N)CC3=CC=CC=C3

Isomeric SMILES

C1[C@H]([NH2+]CC2=C(N1)C=CC(=C2)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C17H17N3/c18-10-14-6-7-17-15(8-14)11-19-16(12-20-17)9-13-4-2-1-3-5-13/h1-8,16,19-20H,9,11-12H2/p+1/t16-/m1/s1