[4-(4-ethanoyl-1,4-diazepan-1-yl)quinazolin-2-yl]methyl-methyl-[(1S)-1-thiophen-2-ylethyl]azanium

Systemtic Name: [4-(4-ethanoyl-1,4-diazepan-1-yl)quinazolin-2-yl]methyl-methyl-[(1S)-1-thiophen-2-ylethyl]azanium Openeye Name: [4-(4-acetyl-1,4-diazepan-1-yl)quinazolin-2-yl]methyl-methyl-[(1S)-1-(2-thienyl)ethyl]ammonium CAS Name: [4-(4-acetyl-1,4-diazepan-1-yl)-2-quinazolinyl]methyl-methyl-[(1S)-1-thiophen-2-ylethyl]ammonium IUPAC Name: [4-(4-acetyl-1,4-diazepan-1-yl)quinazolin-2-yl]methyl-methyl-[(1S)-1-thiophen-2-ylethyl]azanium Traditional Name: [4-(4-acetyl-1,4-diazepan-1-yl)quinazolin-2-yl]methyl-methyl-[(1S)-1-(2-thienyl)ethyl]ammonium Formula: C23H30N5OS+ MolecularWeight: 424.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)[NH+](C)CC2=NC3=CC=CC=C3C(=N2)N4CCCN(CC4)C(=O)C

Isomeric SMILES

C[C@@H](C1=CC=CS1)[NH+](C)CC2=NC3=CC=CC=C3C(=N2)N4CCCN(CC4)C(=O)C

InChI

InChI=1S/C23H29N5OS/c1-17(21-10-6-15-30-21)26(3)16-22-24-20-9-5-4-8-19(20)23(25-22)28-12-7-11-27(13-14-28)18(2)29/h4-6,8-10,15,17H,7,11-14,16H2,1-3H3/p+1/t17-/m0/s1