(7S)-10-(4-ethylpiperazin-4-ium-1-yl)-8-oxidanylidene-9,11-diazaspiro[5.5]undec-10-ene-7-carbonitrile

Systemtic Name: (7S)-10-(4-ethylpiperazin-4-ium-1-yl)-8-oxidanylidene-9,11-diazaspiro[5.5]undec-10-ene-7-carbonitrile Openeye Name: (7S)-10-(4-ethylpiperazin-4-ium-1-yl)-8-oxo-9,11-diazaspiro[5.5]undec-10-ene-7-carbonitrile CAS Name: (7S)-10-(4-ethyl-1-piperazin-4-iumyl)-8-oxo-9,11-diazaspiro[5.5]undec-10-ene-7-carbonitrile IUPAC Name: (7S)-10-(4-ethylpiperazin-4-ium-1-yl)-8-oxo-9,11-diazaspiro[5.5]undec-10-ene-7-carbonitrile Traditional Name: (7S)-10-(4-ethylpiperazin-4-ium-1-yl)-8-keto-9,11-diazaspiro[5.5]undec-10-ene-7-carbonitrile Formula: C16H26N5O+ MolecularWeight: 304.41054

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC3(CCCCC3)C(C(=O)N2)C#N

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC3(CCCCC3)[C@H](C(=O)N2)C#N

InChI

InChI=1S/C16H25N5O/c1-2-20-8-10-21(11-9-20)15-18-14(22)13(12-17)16(19-15)6-4-3-5-7-16/h13H,2-11H2,1H3,(H,18,19,22)/p+1/t13-/m0/s1