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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3OS/c23-13-18-17-3-1-2-4-19(17)27-21(18)25-20(26)5-6-24-22-10-14-7-15(11-22)9-16(8-14)12-22/h14-16,24H,1-12H2,(H,25,26)/p+1