N-[(2S)-2-(1H-indol-3-yl)-2-phenyl-ethyl]-5-morpholin-4-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-[(2S)-2-(1H-indol-3-yl)-2-phenyl-ethyl]-5-morpholin-4-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[(2S)-2-(1H-indol-3-yl)-2-phenyl-ethyl]-5-morpholinosulfonyl-pyridin-1-ium-2-amine CAS Name: N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-5-(4-morpholinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine Traditional Name: [(2S)-2-(1H-indol-3-yl)-2-phenyl-ethyl]-(5-morpholinosulfonylpyridin-1-ium-2-yl)amine Formula: C25H27N4O3S+ MolecularWeight: 463.57188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C[NH+]=C(C=C2)NCC(C3=CC=CC=C3)C4=CNC5=CC=CC=C54

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C[NH+]=C(C=C2)NC[C@@H](C3=CC=CC=C3)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C25H26N4O3S/c30-33(31,29-12-14-32-15-13-29)20-10-11-25(27-16-20)28-17-22(19-6-2-1-3-7-19)23-18-26-24-9-5-4-8-21(23)24/h1-11,16,18,22,26H,12-15,17H2,(H,27,28)/p+1/t22-/m0/s1