(7S)-10-azanyl-8-azanylidene-3-(phenylmethyl)-9-thia-3-azoniaspiro[5.5]undec-10-ene-7,11-dicarbonitrile

Systemtic Name: (7S)-10-azanyl-8-azanylidene-3-(phenylmethyl)-9-thia-3-azoniaspiro[5.5]undec-10-ene-7,11-dicarbonitrile Openeye Name: (7S)-10-amino-3-benzyl-8-imino-9-thia-3-azoniaspiro[5.5]undec-10-ene-7,11-dicarbonitrile CAS Name: (7S)-10-amino-8-imino-3-(phenylmethyl)-9-thia-3-azoniaspiro[5.5]undec-10-ene-7,11-dicarbonitrile IUPAC Name: (7S)-10-amino-3-benzyl-8-imino-9-thia-3-azoniaspiro[5.5]undec-10-ene-7,11-dicarbonitrile Traditional Name: (7S)-10-amino-3-benzyl-8-imino-9-thia-3-azoniaspiro[5.5]undec-10-ene-7,11-dicarbonitrile Formula: C18H20N5S+ MolecularWeight: 338.4499

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC12C(C(=N)SC(=C2C#N)N)C#N)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC12[C@H](C(=N)SC(=C2C#N)N)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C18H19N5S/c19-10-14-16(21)24-17(22)15(11-20)18(14)6-8-23(9-7-18)12-13-4-2-1-3-5-13/h1-5,14,21H,6-9,12,22H2/p+1/t14-/m0/s1