(4-dimethylaminophenyl)methyl-methyl-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (4-dimethylaminophenyl)methyl-methyl-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: (4-dimethylaminophenyl)methyl-methyl-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxo-ethyl]ammonium CAS Name: (4-dimethylaminophenyl)methyl-methyl-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]ammonium IUPAC Name: (4-dimethylaminophenyl)methyl-methyl-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]azanium Traditional Name: [4-(dimethylamino)benzyl]-[2-keto-2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethyl]-methyl-ammonium Formula: C22H30N3OS+ MolecularWeight: 384.5581

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C[NH+](C)CC3=CC=C(C=C3)N(C)C

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)C[NH+](C)CC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C22H29N3OS/c1-17-13-14-25(20-7-5-6-8-21(20)27-17)22(26)16-24(4)15-18-9-11-19(12-10-18)23(2)3/h5-12,17H,13-16H2,1-4H3/p+1/t17-/m0/s1