1-[4-[(3S)-3-azanyl-4-[(2S)-2-cyanopyrrolidin-1-yl]-4-oxidanylidene-butanoyl]piperazin-1-yl]pyridin-1-ium-3-carbonitrile

Systemtic Name: 1-[4-[(3S)-3-azanyl-4-[(2S)-2-cyanopyrrolidin-1-yl]-4-oxidanylidene-butanoyl]piperazin-1-yl]pyridin-1-ium-3-carbonitrile Openeye Name: 1-[4-[(3S)-3-amino-4-[(2S)-2-cyanopyrrolidin-1-yl]-4-oxo-butanoyl]piperazin-1-yl]pyridin-1-ium-3-carbonitrile CAS Name: 1-[4-[(3S)-3-amino-4-[(2S)-2-cyano-1-pyrrolidinyl]-1,4-dioxobutyl]-1-piperazinyl]-3-pyridin-1-iumcarbonitrile IUPAC Name: 1-[4-[(3S)-3-amino-4-[(2S)-2-cyanopyrrolidin-1-yl]-4-oxobutanoyl]piperazin-1-yl]pyridin-1-ium-3-carbonitrile Traditional Name: 1-[4-[(3S)-3-amino-4-[(2S)-2-cyanopyrrolidino]-4-keto-butanoyl]piperazino]pyridin-1-ium-3-carbonitrile Formula: C19H24N7O2+ MolecularWeight: 382.43956

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC(=O)N2CCN(CC2)[N+]3=CC=CC(=C3)C#N)N)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CC(=O)N2CCN(CC2)[N+]3=CC=CC(=C3)C#N)N)C#N

InChI

InChI=1S/C19H24N7O2/c20-12-15-3-1-5-25(14-15)24-9-7-23(8-10-24)18(27)11-17(22)19(28)26-6-2-4-16(26)13-21/h1,3,5,14,16-17H,2,4,6-11,22H2/q+1/t16-,17-/m0/s1