1-methyl-4-(thiophen-3-ylmethyl)-1,4-diazepan-1-ium

Systemtic Name: 1-methyl-4-(thiophen-3-ylmethyl)-1,4-diazepan-1-ium Openeye Name: 1-methyl-4-(3-thienylmethyl)-1,4-diazepan-1-ium CAS Name: 1-methyl-4-(3-thiophenylmethyl)-1,4-diazepan-1-ium IUPAC Name: 1-methyl-4-(thiophen-3-ylmethyl)-1,4-diazepan-1-ium Traditional Name: 1-methyl-4-(3-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=CSC=C2

Isomeric SMILES

C[NH+]1CCCN(CC1)CC2=CSC=C2

InChI

InChI=1S/C11H18N2S/c1-12-4-2-5-13(7-6-12)9-11-3-8-14-10-11/h3,8,10H,2,4-7,9H2,1H3/p+1