1-adamantyl-[2-[(4-methoxyphenyl)-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1-adamantyl-[2-[(4-methoxyphenyl)-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-[4-methoxy-N-(2-thienylmethyl)anilino]-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-keto-2-[4-methoxy-N-(2-thenyl)anilino]ethyl]ammonium Formula: C24H31N2O2S+ MolecularWeight: 411.58014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC2=CC=CS2)C(=O)C[NH2+]C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=C(C=C1)N(CC2=CC=CS2)C(=O)C[NH2+]C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H30N2O2S/c1-28-21-6-4-20(5-7-21)26(16-22-3-2-8-29-22)23(27)15-25-24-12-17-9-18(13-24)11-19(10-17)14-24/h2-8,17-19,25H,9-16H2,1H3/p+1