[3-[(1S,2R)-2-(azepan-1-ium-1-yl)cyclohexyl]oxythiophen-2-yl]methylazanium

Systemtic Name: [3-[(1S,2R)-2-(azepan-1-ium-1-yl)cyclohexyl]oxythiophen-2-yl]methylazanium Openeye Name: [3-[(1S,2R)-2-(azepan-1-ium-1-yl)cyclohexoxy]-2-thienyl]methylammonium CAS Name: [3-[(1S,2R)-2-(1-azepan-1-iumyl)cyclohexyl]oxy-2-thiophenyl]methylammonium IUPAC Name: [3-[(1S,2R)-2-(azepan-1-ium-1-yl)cyclohexyl]oxythiophen-2-yl]methylazanium Traditional Name: [3-[(1S,2R)-2-(azepan-1-ium-1-yl)cyclohexoxy]-2-thienyl]methylammonium Formula: C17H30N2OS+2 MolecularWeight: 310.4979

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CCCCC2OC3=C(SC=C3)C[NH3+]

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H]2CCCC[C@@H]2OC3=C(SC=C3)C[NH3+]

InChI

InChI=1S/C17H28N2OS/c18-13-17-16(9-12-21-17)20-15-8-4-3-7-14(15)19-10-5-1-2-6-11-19/h9,12,14-15H,1-8,10-11,13,18H2/p+2/t14-,15+/m1/s1