9-methoxy-7-(5-methylthiophen-2-yl)-4-(quinolin-8-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 9-methoxy-7-(5-methylthiophen-2-yl)-4-(quinolin-8-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 9-methoxy-7-(5-methyl-2-thienyl)-4-(8-quinolylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-7-(5-methyl-2-thiophenyl)-4-(8-quinolinylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-7-(5-methylthiophen-2-yl)-4-(quinolin-8-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 9-methoxy-7-(5-methyl-2-thienyl)-4-(8-quinolylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C25H25N2O2S+ MolecularWeight: 417.5432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CC1=CC=C(S1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C25H24N2O2S/c1-17-8-9-23(30-17)20-13-21-16-27(11-12-29-25(21)22(14-20)28-2)15-19-6-3-5-18-7-4-10-26-24(18)19/h3-10,13-14H,11-12,15-16H2,1-2H3/p+1