azepan-1-yl-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: azepan-1-yl-[1-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]piperidin-1-ium-4-yl]methanone CAS Name: 1-azepanyl-[1-[(5-methyl-2-thiophen-2-yl-4-oxazolyl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: azepan-1-yl-[1-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]piperidin-1-ium-4-yl]methanone Formula: C21H30N3O2S+ MolecularWeight: 388.5468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CS2)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CS2)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C21H29N3O2S/c1-16-18(22-20(26-16)19-7-6-14-27-19)15-23-12-8-17(9-13-23)21(25)24-10-4-2-3-5-11-24/h6-7,14,17H,2-5,8-13,15H2,1H3/p+1