[(2S)-2-(4-dimethylaminophenyl)-2-(1H-indol-3-yl)ethyl]-(thian-4-yl)azanium

Systemtic Name: [(2S)-2-(4-dimethylaminophenyl)-2-(1H-indol-3-yl)ethyl]-(thian-4-yl)azanium Openeye Name: [(2S)-2-(4-dimethylaminophenyl)-2-(1H-indol-3-yl)ethyl]-tetrahydrothiopyran-4-yl-ammonium CAS Name: [(2S)-2-(4-dimethylaminophenyl)-2-(1H-indol-3-yl)ethyl]-(4-thianyl)ammonium IUPAC Name: [(2S)-2-(4-dimethylaminophenyl)-2-(1H-indol-3-yl)ethyl]-(thian-4-yl)azanium Traditional Name: [(2S)-2-(4-dimethylaminophenyl)-2-(1H-indol-3-yl)ethyl]-tetrahydrothiopyran-4-yl-ammonium Formula: C23H30N3S+ MolecularWeight: 380.5694

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C[NH2+]C2CCSCC2)C3=CNC4=CC=CC=C43

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@H](C[NH2+]C2CCSCC2)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C23H29N3S/c1-26(2)19-9-7-17(8-10-19)21(15-24-18-11-13-27-14-12-18)22-16-25-23-6-4-3-5-20(22)23/h3-10,16,18,21,24-25H,11-15H2,1-2H3/p+1/t21-/m0/s1