N-propan-2-yl-2-[4-(2-thiophen-3-ylquinazolin-4-yl)-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-propan-2-yl-2-[4-(2-thiophen-3-ylquinazolin-4-yl)-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-isopropyl-2-[4-[2-(3-thienyl)quinazolin-4-yl]-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-propan-2-yl-2-[4-[2-(3-thiophenyl)-4-quinazolinyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-propan-2-yl-2-[4-(2-thiophen-3-ylquinazolin-4-yl)-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-isopropyl-2-[4-[2-(3-thienyl)quinazolin-4-yl]-1,4-diazepan-1-ium-1-yl]acetamide Formula: C22H28N5OS+ MolecularWeight: 410.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CSC=C4

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CSC=C4

InChI

InChI=1S/C22H27N5OS/c1-16(2)23-20(28)14-26-9-5-10-27(12-11-26)22-18-6-3-4-7-19(18)24-21(25-22)17-8-13-29-15-17/h3-4,6-8,13,15-16H,5,9-12,14H2,1-2H3,(H,23,28)/p+1