[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]-[(R)-(4-methylphenyl)-thiophen-2-yl-methyl]azanium

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]-[(R)-(4-methylphenyl)-thiophen-2-yl-methyl]azanium Openeye Name: [2-(cyclohexylmethylamino)-2-oxo-ethyl]-[(R)-p-tolyl(2-thienyl)methyl]ammonium CAS Name: [2-(cyclohexylmethylamino)-2-oxoethyl]-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]ammonium IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl]-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium Traditional Name: [2-(cyclohexylmethylamino)-2-keto-ethyl]-[(R)-p-tolyl(2-thienyl)methyl]ammonium Formula: C21H29N2OS+ MolecularWeight: 357.53276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CS2)[NH2+]CC(=O)NCC3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C2=CC=CS2)[NH2+]CC(=O)NCC3CCCCC3

InChI

InChI=1S/C21H28N2OS/c1-16-9-11-18(12-10-16)21(19-8-5-13-25-19)23-15-20(24)22-14-17-6-3-2-4-7-17/h5,8-13,17,21,23H,2-4,6-7,14-15H2,1H3,(H,22,24)/p+1/t21-/m1/s1