[2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl]-methyl-(thiophen-3-ylmethyl)azanium

Systemtic Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl]-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxo-ethyl]-methyl-(3-thienylmethyl)ammonium CAS Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl]-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-keto-ethyl]-methyl-(3-thenyl)ammonium Formula: C21H30N3OS+ MolecularWeight: 372.5474

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CSC=C1)CC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[NH+](CC1=CSC=C1)CC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H29N3OS/c1-23(13-16-3-6-26-15-16)14-20(25)24(5-2-4-22)21-10-17-7-18(11-21)9-19(8-17)12-21/h3,6,15,17-19H,2,5,7-14H2,1H3/p+1