1-[(2-methylfuran-3-yl)carbonylamino]-3-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]urea

Systemtic Name: 1-[(2-methylfuran-3-yl)carbonylamino]-3-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]urea Openeye Name: 1-[(2-methylfuran-3-carbonyl)amino]-3-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]urea CAS Name: 1-[[(2-methyl-3-furanyl)-oxomethyl]amino]-3-[[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methyl]urea IUPAC Name: 1-[(2-methylfuran-3-carbonyl)amino]-3-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]urea Traditional Name: 1-[(2-methyl-3-furoyl)amino]-3-[(6-pyrrolidinopyridin-1-ium-3-yl)methyl]urea Formula: C17H22N5O3+ MolecularWeight: 344.38828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)NNC(=O)NCC2=C[NH+]=C(C=C2)N3CCCC3

Isomeric SMILES

CC1=C(C=CO1)C(=O)NNC(=O)NCC2=C[NH+]=C(C=C2)N3CCCC3

InChI

InChI=1S/C17H21N5O3/c1-12-14(6-9-25-12)16(23)20-21-17(24)19-11-13-4-5-15(18-10-13)22-7-2-3-8-22/h4-6,9-10H,2-3,7-8,11H2,1H3,(H,20,23)(H2,19,21,24)/p+1