4-methoxy-N-[[(3S)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]benzenesulfonamide

Systemtic Name: 4-methoxy-N-[[(3S)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]benzenesulfonamide Openeye Name: 4-methoxy-N-[[(3S)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]benzenesulfonamide CAS Name: 4-methoxy-N-[[(3S)-1-[(3-methyl-1H-indol-2-yl)methyl]-3-piperidin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: 4-methoxy-N-[[(3S)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]benzenesulfonamide Traditional Name: 4-methoxy-N-[[(3S)-1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]benzenesulfonamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=CC=CC=C12)C[NH+]3CCCC(C3)CNS(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(NC2=CC=CC=C12)C[NH+]3CCC[C@@H](C3)CNS(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H29N3O3S/c1-17-21-7-3-4-8-22(21)25-23(17)16-26-13-5-6-18(15-26)14-24-30(27,28)20-11-9-19(29-2)10-12-20/h3-4,7-12,18,24-25H,5-6,13-16H2,1-2H3/p+1/t18-/m1/s1