3-(azepan-1-ium-1-ylmethyl)-2,6,8-trimethyl-quinolin-1-ium-4-ol

Systemtic Name: 3-(azepan-1-ium-1-ylmethyl)-2,6,8-trimethyl-quinolin-1-ium-4-ol Openeye Name: 3-(azepan-1-ium-1-ylmethyl)-2,6,8-trimethyl-quinolin-1-ium-4-ol CAS Name: 3-(1-azepan-1-iumylmethyl)-2,6,8-trimethyl-4-quinolin-1-iumol IUPAC Name: 3-(azepan-1-ium-1-ylmethyl)-2,6,8-trimethylquinolin-1-ium-4-ol Traditional Name: 3-(azepan-1-ium-1-ylmethyl)-2,6,8-trimethyl-quinolin-1-ium-4-ol Formula: C19H28N2O+2 MolecularWeight: 300.43842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=C(C(=[NH+]2)C)C[NH+]3CCCCCC3)O)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=C(C(=[NH+]2)C)C[NH+]3CCCCCC3)O)C

InChI

InChI=1S/C19H26N2O/c1-13-10-14(2)18-16(11-13)19(22)17(15(3)20-18)12-21-8-6-4-5-7-9-21/h10-11H,4-9,12H2,1-3H3,(H,20,22)/p+2