1-[2-[(1-cyanocycloheptyl)amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(1-cyanocycloheptyl)amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[2-[(1-cyanocycloheptyl)amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[2-[(1-cyanocycloheptyl)amino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C23H33N4O2+ MolecularWeight: 397.53372

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C#N)NC(=O)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CCCC(CC1)(C#N)NC(=O)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H32N4O2/c24-18-23(12-6-1-2-7-13-23)26-21(28)17-27-14-10-20(11-15-27)22(29)25-16-19-8-4-3-5-9-19/h3-5,8-9,20H,1-2,6-7,10-17H2,(H,25,29)(H,26,28)/p+1