[2-[(3S)-3-methyl-4-(4-methylisoquinolin-5-yl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]azanium

Systemtic Name: [2-[(3S)-3-methyl-4-(4-methylisoquinolin-5-yl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-[(3S)-3-methyl-4-[(4-methyl-5-isoquinolyl)sulfonyl]-1,4-diazepan-1-yl]-2-oxo-ethyl]ammonium CAS Name: [2-[(3S)-3-methyl-4-[(4-methyl-5-isoquinolinyl)sulfonyl]-1,4-diazepan-1-yl]-2-oxoethyl]ammonium IUPAC Name: [2-[(3S)-3-methyl-4-(4-methylisoquinolin-5-yl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]azanium Traditional Name: [2-keto-2-[(3S)-3-methyl-4-[(4-methyl-5-isoquinolyl)sulfonyl]-1,4-diazepan-1-yl]ethyl]ammonium Formula: C18H25N4O3S+ MolecularWeight: 377.4811

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCCN1S(=O)(=O)C2=CC=CC3=CN=CC(=C32)C)C(=O)C[NH3+]

Isomeric SMILES

C[C@H]1CN(CCCN1S(=O)(=O)C2=CC=CC3=CN=CC(=C32)C)C(=O)C[NH3+]

InChI

InChI=1S/C18H24N4O3S/c1-13-10-20-11-15-5-3-6-16(18(13)15)26(24,25)22-8-4-7-21(12-14(22)2)17(23)9-19/h3,5-6,10-11,14H,4,7-9,12,19H2,1-2H3/p+1/t14-/m0/s1