[(2R)-2,3-dihydro-1-benzothiophen-2-yl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: [(2R)-2,3-dihydro-1-benzothiophen-2-yl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Openeye Name: [(2R)-2,3-dihydrobenzothiophen-2-yl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: [(2R)-2,3-dihydro-1-benzothiophen-2-yl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: [(2R)-2,3-dihydro-1-benzothiophen-2-yl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: [(2R)-2,3-dihydrobenzothiophen-2-yl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C15H21N2OS+ MolecularWeight: 277.40504

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)C2CC3=CC=CC=C3S2

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)[C@H]2CC3=CC=CC=C3S2

InChI

InChI=1S/C15H20N2OS/c1-16-7-4-8-17(10-9-16)15(18)14-11-12-5-2-3-6-13(12)19-14/h2-3,5-6,14H,4,7-11H2,1H3/p+1/t14-/m1/s1