(7S)-8-oxidanylidene-10-phenylazanyl-3-(phenylmethyl)-9,11-diaza-3-azoniaspiro[5.5]undec-10-ene-7-carbonitrile

Systemtic Name: (7S)-8-oxidanylidene-10-phenylazanyl-3-(phenylmethyl)-9,11-diaza-3-azoniaspiro[5.5]undec-10-ene-7-carbonitrile Openeye Name: (7S)-10-anilino-3-benzyl-8-oxo-9,11-diaza-3-azoniaspiro[5.5]undec-10-ene-7-carbonitrile CAS Name: (7S)-10-anilino-8-oxo-3-(phenylmethyl)-9,11-diaza-3-azoniaspiro[5.5]undec-10-ene-7-carbonitrile IUPAC Name: (7S)-10-anilino-3-benzyl-8-oxo-9,11-diaza-3-azoniaspiro[5.5]undec-10-ene-7-carbonitrile Traditional Name: (7S)-10-anilino-3-benzyl-8-keto-9,11-diaza-3-azoniaspiro[5.5]undec-10-ene-7-carbonitrile Formula: C22H24N5O+ MolecularWeight: 374.45886

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC12C(C(=O)NC(=N2)NC3=CC=CC=C3)C#N)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC12[C@H](C(=O)NC(=N2)NC3=CC=CC=C3)C#N)CC4=CC=CC=C4

InChI

InChI=1S/C22H23N5O/c23-15-19-20(28)25-21(24-18-9-5-2-6-10-18)26-22(19)11-13-27(14-12-22)16-17-7-3-1-4-8-17/h1-10,19H,11-14,16H2,(H2,24,25,26,28)/p+1/t19-/m0/s1