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

Systemtic Name: [3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxidanylidene-propyl]-cyclooctyl-azanium Openeye Name: [3-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3-oxo-propyl]-cyclooctyl-ammonium CAS Name: [3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxopropyl]-cyclooctylammonium IUPAC Name: [3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxopropyl]-cyclooctylazanium Traditional Name: [3-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3-keto-propyl]-cyclooctyl-ammonium Formula: C20H30N3OS+ MolecularWeight: 360.5367

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)[NH2+]CCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

C1CCCC(CCC1)[NH2+]CCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C20H29N3OS/c21-14-17-16-10-6-7-11-18(16)25-20(17)23-19(24)12-13-22-15-8-4-2-1-3-5-9-15/h15,22H,1-13H2,(H,23,24)/p+1