1-[(2S)-2,4-dimethyl-1,4-diazepan-4-ium-1-yl]-3-thiophen-3-yl-propan-1-one

Systemtic Name: 1-[(2S)-2,4-dimethyl-1,4-diazepan-4-ium-1-yl]-3-thiophen-3-yl-propan-1-one Openeye Name: 1-[(2S)-2,4-dimethyl-1,4-diazepan-4-ium-1-yl]-3-(3-thienyl)propan-1-one CAS Name: 1-[(2S)-2,4-dimethyl-1,4-diazepan-4-ium-1-yl]-3-(3-thiophenyl)-1-propanone IUPAC Name: 1-[(2S)-2,4-dimethyl-1,4-diazepan-4-ium-1-yl]-3-thiophen-3-ylpropan-1-one Traditional Name: 1-[(2S)-2,4-dimethyl-1,4-diazepan-4-ium-1-yl]-3-(3-thienyl)propan-1-one Formula: C14H23N2OS+ MolecularWeight: 267.41022

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CCCN1C(=O)CCC2=CSC=C2)C

Isomeric SMILES

C[C@H]1C[NH+](CCCN1C(=O)CCC2=CSC=C2)C

InChI

InChI=1S/C14H22N2OS/c1-12-10-15(2)7-3-8-16(12)14(17)5-4-13-6-9-18-11-13/h6,9,11-12H,3-5,7-8,10H2,1-2H3/p+1/t12-/m0/s1