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

Systemtic Name: 4-[(4-methoxyphenyl)methyl]-1-[[4-(piperidin-1-ium-1-ylmethyl)thiophen-2-yl]methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-[(4-methoxyphenyl)methyl]-1-[[4-(piperidin-1-ium-1-ylmethyl)-2-thienyl]methyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-[(4-methoxyphenyl)methyl]-1-[[4-(1-piperidin-1-iumylmethyl)-2-thiophenyl]methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-[(4-methoxyphenyl)methyl]-1-[[4-(piperidin-1-ium-1-ylmethyl)thiophen-2-yl]methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-p-anisyl-1-[[4-(piperidin-1-ium-1-ylmethyl)-2-thienyl]methyl]-1,4-diazepan-1-ium-5-one Formula: C24H35N3O2S+2 MolecularWeight: 429.6186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CC[NH+](CCC2=O)CC3=CC(=CS3)C[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)CN2CC[NH+](CCC2=O)CC3=CC(=CS3)C[NH+]4CCCCC4

InChI

InChI=1S/C24H33N3O2S/c1-29-22-7-5-20(6-8-22)17-27-14-13-26(12-9-24(27)28)18-23-15-21(19-30-23)16-25-10-3-2-4-11-25/h5-8,15,19H,2-4,9-14,16-18H2,1H3/p+2