1-[(3-methylthiophen-2-yl)methyl]-4-propyl-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[(3-methylthiophen-2-yl)methyl]-4-propyl-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(3-methyl-2-thienyl)methyl]-4-propyl-1,4-diazepan-1-ium-5-one CAS Name: 1-[(3-methyl-2-thiophenyl)methyl]-4-propyl-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(3-methylthiophen-2-yl)methyl]-4-propyl-1,4-diazepan-1-ium-5-one Traditional Name: 1-[(3-methyl-2-thienyl)methyl]-4-propyl-1,4-diazepan-1-ium-5-one Formula: C14H23N2OS+ MolecularWeight: 267.41022

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC[NH+](CCC1=O)CC2=C(C=CS2)C

Isomeric SMILES

CCCN1CC[NH+](CCC1=O)CC2=C(C=CS2)C

InChI

InChI=1S/C14H22N2OS/c1-3-6-16-9-8-15(7-4-14(16)17)11-13-12(2)5-10-18-13/h5,10H,3-4,6-9,11H2,1-2H3/p+1