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

Systemtic Name: 1-[(5-methylthiophen-2-yl)methyl]-4-prop-2-enyl-1,4-diazepan-1-ium-5-one Openeye Name: 4-allyl-1-[(5-methyl-2-thienyl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 1-[(5-methyl-2-thiophenyl)methyl]-4-prop-2-enyl-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(5-methylthiophen-2-yl)methyl]-4-prop-2-enyl-1,4-diazepan-1-ium-5-one Traditional Name: 4-allyl-1-[(5-methyl-2-thienyl)methyl]-1,4-diazepan-1-ium-5-one Formula: C14H21N2OS+ MolecularWeight: 265.39434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C[NH+]2CCC(=O)N(CC2)CC=C

Isomeric SMILES

CC1=CC=C(S1)C[NH+]2CCC(=O)N(CC2)CC=C

InChI

InChI=1S/C14H20N2OS/c1-3-7-16-10-9-15(8-6-14(16)17)11-13-5-4-12(2)18-13/h3-5H,1,6-11H2,2H3/p+1