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

Systemtic Name: 1-[[5-(piperidin-1-ium-1-ylmethyl)thiophen-2-yl]methyl]-4-propyl-1,4-diazepan-1-ium-5-one Openeye Name: 1-[[5-(piperidin-1-ium-1-ylmethyl)-2-thienyl]methyl]-4-propyl-1,4-diazepan-1-ium-5-one CAS Name: 1-[[5-(1-piperidin-1-iumylmethyl)-2-thiophenyl]methyl]-4-propyl-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[[5-(piperidin-1-ium-1-ylmethyl)thiophen-2-yl]methyl]-4-propyl-1,4-diazepan-1-ium-5-one Traditional Name: 1-[[5-(piperidin-1-ium-1-ylmethyl)-2-thienyl]methyl]-4-propyl-1,4-diazepan-1-ium-5-one Formula: C19H33N3OS+2 MolecularWeight: 351.54982

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC[NH+](CCC1=O)CC2=CC=C(S2)C[NH+]3CCCCC3

Isomeric SMILES

CCCN1CC[NH+](CCC1=O)CC2=CC=C(S2)C[NH+]3CCCCC3

InChI

InChI=1S/C19H31N3OS/c1-2-9-22-14-13-21(12-8-19(22)23)16-18-7-6-17(24-18)15-20-10-4-3-5-11-20/h6-7H,2-5,8-16H2,1H3/p+2