4-ethyl-1-[[5-(piperidin-1-ium-1-ylmethyl)thiophen-2-yl]methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-ethyl-1-[[5-(piperidin-1-ium-1-ylmethyl)thiophen-2-yl]methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-ethyl-1-[[5-(piperidin-1-ium-1-ylmethyl)-2-thienyl]methyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-ethyl-1-[[5-(1-piperidin-1-iumylmethyl)-2-thiophenyl]methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-ethyl-1-[[5-(piperidin-1-ium-1-ylmethyl)thiophen-2-yl]methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-ethyl-1-[[5-(piperidin-1-ium-1-ylmethyl)-2-thienyl]methyl]-1,4-diazepan-1-ium-5-one Formula: C18H31N3OS+2 MolecularWeight: 337.52324

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CCC1=O)CC2=CC=C(S2)C[NH+]3CCCCC3

Isomeric SMILES

CCN1CC[NH+](CCC1=O)CC2=CC=C(S2)C[NH+]3CCCCC3

InChI

InChI=1S/C18H29N3OS/c1-2-21-13-12-20(11-8-18(21)22)15-17-7-6-16(23-17)14-19-9-4-3-5-10-19/h6-7H,2-5,8-15H2,1H3/p+2