1-adamantyl-[2-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1-adamantyl-[2-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-keto-ethyl]ammonium Formula: C22H30N3OS+ MolecularWeight: 384.5581

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C[NH2+]C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)C[NH2+]C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H29N3OS/c1-13-2-3-17-18(11-23)21(27-19(17)4-13)25-20(26)12-24-22-8-14-5-15(9-22)7-16(6-14)10-22/h13-16,24H,2-10,12H2,1H3,(H,25,26)/p+1/t13-,14?,15?,16?,22?/m0/s1