N-tert-butyl-2-[4-(7-chloranylquinolin-1-ium-4-yl)-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-(7-chloranylquinolin-1-ium-4-yl)-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(7-chloroquinolin-1-ium-4-yl)-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-(7-chloro-4-quinolin-1-iumyl)-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-(7-chloroquinolin-1-ium-4-yl)-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(7-chloroquinolin-1-ium-4-yl)-1,4-diazepan-1-ium-1-yl]acetamide Formula: C20H29ClN4O+2 MolecularWeight: 376.92346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)C2=C3C=CC(=CC3=[NH+]C=C2)Cl

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCCN(CC1)C2=C3C=CC(=CC3=[NH+]C=C2)Cl

InChI

InChI=1S/C20H27ClN4O/c1-20(2,3)23-19(26)14-24-9-4-10-25(12-11-24)18-7-8-22-17-13-15(21)5-6-16(17)18/h5-8,13H,4,9-12,14H2,1-3H3,(H,23,26)/p+2