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

Systemtic Name: 6-ethoxy-4-methyl-2-[4-(quinolin-2-ylmethyl)-1,4-diazepan-4-ium-1-yl]quinazoline Openeye Name: 6-ethoxy-4-methyl-2-[4-(2-quinolylmethyl)-1,4-diazepan-4-ium-1-yl]quinazoline CAS Name: 6-ethoxy-4-methyl-2-[4-(2-quinolinylmethyl)-1,4-diazepan-4-ium-1-yl]quinazoline IUPAC Name: 6-ethoxy-4-methyl-2-[4-(quinolin-2-ylmethyl)-1,4-diazepan-4-ium-1-yl]quinazoline Traditional Name: 6-ethoxy-4-methyl-2-[4-(2-quinolylmethyl)-1,4-diazepan-4-ium-1-yl]quinazoline Formula: C26H30N5O+ MolecularWeight: 428.5493

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC[NH+](CC3)CC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC[NH+](CC3)CC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C26H29N5O/c1-3-32-22-11-12-25-23(17-22)19(2)27-26(29-25)31-14-6-13-30(15-16-31)18-21-10-9-20-7-4-5-8-24(20)28-21/h4-5,7-12,17H,3,6,13-16,18H2,1-2H3/p+1