2-[(4S)-2-oxidanylidene-4-piperazin-4-ium-1-ylcarbonyl-pyrrolidin-1-yl]benzenecarbonitrile

Systemtic Name: 2-[(4S)-2-oxidanylidene-4-piperazin-4-ium-1-ylcarbonyl-pyrrolidin-1-yl]benzenecarbonitrile Openeye Name: 2-[(4S)-2-oxo-4-(piperazin-4-ium-1-carbonyl)pyrrolidin-1-yl]benzonitrile CAS Name: 2-[(4S)-2-oxo-4-[oxo(1-piperazin-4-iumyl)methyl]-1-pyrrolidinyl]benzonitrile IUPAC Name: 2-[(4S)-2-oxo-4-(piperazin-4-ium-1-carbonyl)pyrrolidin-1-yl]benzonitrile Traditional Name: 2-[(4S)-2-keto-4-(piperazin-4-ium-1-carbonyl)pyrrolidino]benzonitrile Formula: C16H19N4O2+ MolecularWeight: 299.34766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)C2CC(=O)N(C2)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)[C@H]2CC(=O)N(C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C16H18N4O2/c17-10-12-3-1-2-4-14(12)20-11-13(9-15(20)21)16(22)19-7-5-18-6-8-19/h1-4,13,18H,5-9,11H2/p+1/t13-/m0/s1