(3S)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1-pyrazin-2-ylcarbonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1-pyrazin-2-ylcarbonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(1-benzylpiperidin-1-ium-4-yl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide CAS Name: (3S)-1-[oxo(2-pyrazinyl)methyl]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-(1-benzylpiperidin-1-ium-4-yl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide Traditional Name: (3S)-N-(1-benzylpiperidin-1-ium-4-yl)-1-pyrazinoyl-nipecotamide Formula: C23H30N5O2+ MolecularWeight: 408.5166

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=NC=CN=C2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=NC=CN=C2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N5O2/c29-22(19-7-4-12-28(17-19)23(30)21-15-24-10-11-25-21)26-20-8-13-27(14-9-20)16-18-5-2-1-3-6-18/h1-3,5-6,10-11,15,19-20H,4,7-9,12-14,16-17H2,(H,26,29)/p+1/t19-/m0/s1