1-benzothiophen-2-ylmethyl-methyl-[(4R)-7-oxidanylidene-1-(phenylmethyl)azepan-4-yl]azanium

Systemtic Name: 1-benzothiophen-2-ylmethyl-methyl-[(4R)-7-oxidanylidene-1-(phenylmethyl)azepan-4-yl]azanium Openeye Name: benzothiophen-2-ylmethyl-[(4R)-1-benzyl-7-oxo-azepan-4-yl]-methyl-ammonium CAS Name: 1-benzothiophen-2-ylmethyl-methyl-[(4R)-7-oxo-1-(phenylmethyl)-4-azepanyl]ammonium IUPAC Name: 1-benzothiophen-2-ylmethyl-[(4R)-1-benzyl-7-oxoazepan-4-yl]-methylazanium Traditional Name: benzothiophen-2-ylmethyl-[(4R)-1-benzyl-7-keto-azepan-4-yl]-methyl-ammonium Formula: C23H27N2OS+ MolecularWeight: 379.53828

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=CC=CC=C2S1)C3CCC(=O)N(CC3)CC4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=CC2=CC=CC=C2S1)[C@@H]3CCC(=O)N(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N2OS/c1-24(17-21-15-19-9-5-6-10-22(19)27-21)20-11-12-23(26)25(14-13-20)16-18-7-3-2-4-8-18/h2-10,15,20H,11-14,16-17H2,1H3/p+1/t20-/m1/s1