[4-(4-ethanoyl-1,4-diazepan-1-yl)-8-methyl-quinazolin-2-yl]methyl-methyl-[(1S)-1-thiophen-2-ylethyl]azanium

Systemtic Name: [4-(4-ethanoyl-1,4-diazepan-1-yl)-8-methyl-quinazolin-2-yl]methyl-methyl-[(1S)-1-thiophen-2-ylethyl]azanium Openeye Name: [4-(4-acetyl-1,4-diazepan-1-yl)-8-methyl-quinazolin-2-yl]methyl-methyl-[(1S)-1-(2-thienyl)ethyl]ammonium CAS Name: [4-(4-acetyl-1,4-diazepan-1-yl)-8-methyl-2-quinazolinyl]methyl-methyl-[(1S)-1-thiophen-2-ylethyl]ammonium IUPAC Name: [4-(4-acetyl-1,4-diazepan-1-yl)-8-methylquinazolin-2-yl]methyl-methyl-[(1S)-1-thiophen-2-ylethyl]azanium Traditional Name: [4-(4-acetyl-1,4-diazepan-1-yl)-8-methyl-quinazolin-2-yl]methyl-methyl-[(1S)-1-(2-thienyl)ethyl]ammonium Formula: C24H32N5OS+ MolecularWeight: 438.60878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(N=C2N3CCCN(CC3)C(=O)C)C[NH+](C)C(C)C4=CC=CS4

Isomeric SMILES

CC1=CC=CC2=C1N=C(N=C2N3CCCN(CC3)C(=O)C)C[NH+](C)[C@@H](C)C4=CC=CS4

InChI

InChI=1S/C24H31N5OS/c1-17-8-5-9-20-23(17)25-22(16-27(4)18(2)21-10-6-15-31-21)26-24(20)29-12-7-11-28(13-14-29)19(3)30/h5-6,8-10,15,18H,7,11-14,16H2,1-4H3/p+1/t18-/m0/s1