(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)methyl-(furan-2-ylmethyl)-(3-propan-2-yloxypropyl)azanium

Systemtic Name: (1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)methyl-(furan-2-ylmethyl)-(3-propan-2-yloxypropyl)azanium Openeye Name: (1,3-dimethyl-2-oxo-benzimidazol-5-yl)methyl-(2-furylmethyl)-(3-isopropoxypropyl)ammonium CAS Name: (1,3-dimethyl-2-oxo-5-benzimidazolyl)methyl-(2-furanylmethyl)-(3-propan-2-yloxypropyl)ammonium IUPAC Name: (1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl-(furan-2-ylmethyl)-(3-propan-2-yloxypropyl)azanium Traditional Name: 2-furfuryl-(3-isopropoxypropyl)-[(2-keto-1,3-dimethyl-benzimidazol-5-yl)methyl]ammonium Formula: C21H30N3O3+ MolecularWeight: 372.4812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCC[NH+](CC1=CC2=C(C=C1)N(C(=O)N2C)C)CC3=CC=CO3

Isomeric SMILES

CC(C)OCCC[NH+](CC1=CC2=C(C=C1)N(C(=O)N2C)C)CC3=CC=CO3

InChI

InChI=1S/C21H29N3O3/c1-16(2)26-12-6-10-24(15-18-7-5-11-27-18)14-17-8-9-19-20(13-17)23(4)21(25)22(19)3/h5,7-9,11,13,16H,6,10,12,14-15H2,1-4H3/p+1