cyclohexyl-[2-[(3-methylthiophen-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: cyclohexyl-[2-[(3-methylthiophen-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-[benzyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-cyclohexyl-ammonium CAS Name: cyclohexyl-[2-[(3-methyl-2-thiophenyl)methyl-(phenylmethyl)amino]-2-oxoethyl]ammonium IUPAC Name: [2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-cyclohexylazanium Traditional Name: [2-[benzyl-[(3-methyl-2-thienyl)methyl]amino]-2-keto-ethyl]-cyclohexyl-ammonium Formula: C21H29N2OS+ MolecularWeight: 357.53276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN(CC2=CC=CC=C2)C(=O)C[NH2+]C3CCCCC3

Isomeric SMILES

CC1=C(SC=C1)CN(CC2=CC=CC=C2)C(=O)C[NH2+]C3CCCCC3

InChI

InChI=1S/C21H28N2OS/c1-17-12-13-25-20(17)16-23(15-18-8-4-2-5-9-18)21(24)14-22-19-10-6-3-7-11-19/h2,4-5,8-9,12-13,19,22H,3,6-7,10-11,14-16H2,1H3/p+1