1-methyl-4-(thiophen-2-ylmethyl)-1,4-diazepan-1-ium

Systemtic Name: 1-methyl-4-(thiophen-2-ylmethyl)-1,4-diazepan-1-ium Openeye Name: 1-methyl-4-(2-thienylmethyl)-1,4-diazepan-1-ium CAS Name: 1-methyl-4-(thiophen-2-ylmethyl)-1,4-diazepan-1-ium IUPAC Name: 1-methyl-4-(thiophen-2-ylmethyl)-1,4-diazepan-1-ium Traditional Name: 1-methyl-4-(2-thenyl)-1,4-diazepan-1-ium Formula: C11H19N2S+ MolecularWeight: 211.34696

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)CC2=CC=CS2

Isomeric SMILES

C[NH+]1CCCN(CC1)CC2=CC=CS2

InChI

InChI=1S/C11H18N2S/c1-12-5-3-6-13(8-7-12)10-11-4-2-9-14-11/h2,4,9H,3,5-8,10H2,1H3/p+1