N-[3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-3-oxidanylidene-propyl]furan-2-carboxamide

Systemtic Name: N-[3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-3-oxidanylidene-propyl]furan-2-carboxamide Openeye Name: N-[3-[4-(o-tolylmethyl)-1,4-diazepan-4-ium-1-yl]-3-oxo-propyl]furan-2-carboxamide CAS Name: N-[3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-3-oxopropyl]-2-furancarboxamide IUPAC Name: N-[3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-3-oxopropyl]furan-2-carboxamide Traditional Name: N-[3-keto-3-[4-(2-methylbenzyl)-1,4-diazepan-4-ium-1-yl]propyl]-2-furamide Formula: C21H28N3O3+ MolecularWeight: 370.46532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCCN(CC2)C(=O)CCNC(=O)C3=CC=CO3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCCN(CC2)C(=O)CCNC(=O)C3=CC=CO3

InChI

InChI=1S/C21H27N3O3/c1-17-6-2-3-7-18(17)16-23-11-5-12-24(14-13-23)20(25)9-10-22-21(26)19-8-4-15-27-19/h2-4,6-8,15H,5,9-14,16H2,1H3,(H,22,26)/p+1