6-ethoxy-2-[4-(furan-3-ylmethyl)-1,4-diazepan-4-ium-1-yl]-4-methyl-quinazoline

Systemtic Name: 6-ethoxy-2-[4-(furan-3-ylmethyl)-1,4-diazepan-4-ium-1-yl]-4-methyl-quinazoline Openeye Name: 6-ethoxy-2-[4-(3-furylmethyl)-1,4-diazepan-4-ium-1-yl]-4-methyl-quinazoline CAS Name: 6-ethoxy-2-[4-(3-furanylmethyl)-1,4-diazepan-4-ium-1-yl]-4-methylquinazoline IUPAC Name: 6-ethoxy-2-[4-(furan-3-ylmethyl)-1,4-diazepan-4-ium-1-yl]-4-methylquinazoline Traditional Name: 6-ethoxy-2-[4-(3-furfuryl)-1,4-diazepan-4-ium-1-yl]-4-methyl-quinazoline Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC[NH+](CC3)CC4=COC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC[NH+](CC3)CC4=COC=C4

InChI

InChI=1S/C21H26N4O2/c1-3-27-18-5-6-20-19(13-18)16(2)22-21(23-20)25-9-4-8-24(10-11-25)14-17-7-12-26-15-17/h5-7,12-13,15H,3-4,8-11,14H2,1-2H3/p+1