(3S)-1-[2-[(1-cyanocycloheptyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[2-[(1-cyanocycloheptyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[2-[(1-cyanocycloheptyl)amino]-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[2-[(1-cyanocycloheptyl)amino]-2-keto-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C#N)NC(=O)C[NH+]2CCCC(C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CCCC(CC1)(C#N)NC(=O)C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H30N4O2/c23-17-22(12-6-1-2-7-13-22)25-20(27)16-26-14-8-9-18(15-26)21(28)24-19-10-4-3-5-11-19/h3-5,10-11,18H,1-2,6-9,12-16H2,(H,24,28)(H,25,27)/p+1/t18-/m0/s1