2-[(phenylmethyl)carbamoylamino]-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]ethanamide

Systemtic Name: 2-[(phenylmethyl)carbamoylamino]-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]ethanamide Openeye Name: 2-(benzylcarbamoylamino)-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]acetamide CAS Name: 2-[[oxo-[(phenylmethyl)amino]methyl]amino]-N-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methyl]acetamide IUPAC Name: 2-(benzylcarbamoylamino)-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]acetamide Traditional Name: 2-(benzylcarbamoylamino)-N-[(2-pyrrolidinopyridin-1-ium-4-yl)methyl]acetamide Formula: C20H26N5O2+ MolecularWeight: 368.45274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=CC(=C2)CNC(=O)CNC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=CC(=C2)CNC(=O)CNC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C20H25N5O2/c26-19(15-24-20(27)23-13-16-6-2-1-3-7-16)22-14-17-8-9-21-18(12-17)25-10-4-5-11-25/h1-3,6-9,12H,4-5,10-11,13-15H2,(H,22,26)(H2,23,24,27)/p+1