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

Systemtic Name: 1-adamantyl-[2-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl]ammonium Formula: C21H30N3O2S+ MolecularWeight: 388.5468

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C[NH2+]C34CC5CC(C3)CC(C5)C4)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C[NH2+]C34CC5CC(C3)CC(C5)C4)C(=O)N

InChI

InChI=1S/C21H29N3O2S/c22-19(26)18-15-3-1-2-4-16(15)27-20(18)24-17(25)11-23-21-8-12-5-13(9-21)7-14(6-12)10-21/h12-14,23H,1-11H2,(H2,22,26)(H,24,25)/p+1