4-[[methyl-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methylcarbamoyl]amino]methyl]benzamide

Systemtic Name: 4-[[methyl-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methylcarbamoyl]amino]methyl]benzamide Openeye Name: 4-[[methyl-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methylcarbamoyl]amino]methyl]benzamide CAS Name: 4-[[methyl-[oxo-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methylamino]methyl]amino]methyl]benzamide IUPAC Name: 4-[[methyl-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methylcarbamoyl]amino]methyl]benzamide Traditional Name: 4-[[methyl-[(2-pyrrolidinopyridin-1-ium-4-yl)methylcarbamoyl]amino]methyl]benzamide Formula: C20H26N5O2+ MolecularWeight: 368.45274

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)N)C(=O)NCC2=CC(=[NH+]C=C2)N3CCCC3

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)N)C(=O)NCC2=CC(=[NH+]C=C2)N3CCCC3

InChI

InChI=1S/C20H25N5O2/c1-24(14-15-4-6-17(7-5-15)19(21)26)20(27)23-13-16-8-9-22-18(12-16)25-10-2-3-11-25/h4-9,12H,2-3,10-11,13-14H2,1H3,(H2,21,26)(H,23,27)/p+1