[4-(azepan-1-ylsulfonyl)phenyl]-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]azanium

Systemtic Name: [4-(azepan-1-ylsulfonyl)phenyl]-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]azanium Openeye Name: [4-(azepan-1-ylsulfonyl)phenyl]-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]ammonium CAS Name: [4-(1-azepanylsulfonyl)phenyl]-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]ammonium IUPAC Name: [4-(azepan-1-ylsulfonyl)phenyl]-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]azanium Traditional Name: [4-(azepan-1-ylsulfonyl)phenyl]-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]ammonium Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)[NH2+]CC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)[NH2+]CC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H29N3O3S/c27-23(25-16-13-19-7-3-4-8-20(19)18-25)17-24-21-9-11-22(12-10-21)30(28,29)26-14-5-1-2-6-15-26/h3-4,7-12,24H,1-2,5-6,13-18H2/p+1