(2S)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-N-(1-benzylpiperidin-1-ium-4-yl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-N-(1-benzylpiperidin-1-ium-4-yl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-N-(1-benzylpiperidin-1-ium-4-yl)pyrrolidin-1-ium-2-carboxamide Formula: C17H27N3O+2 MolecularWeight: 289.41578

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C1C[C@H]([NH2+]C1)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C17H25N3O/c21-17(16-7-4-10-18-16)19-15-8-11-20(12-9-15)13-14-5-2-1-3-6-14/h1-3,5-6,15-16,18H,4,7-13H2,(H,19,21)/p+2/t16-/m0/s1