4-[(S)-1,3-benzodioxol-5-yl-(2-methyl-1H-indol-3-yl)methyl]morpholin-4-ium

Systemtic Name: 4-[(S)-1,3-benzodioxol-5-yl-(2-methyl-1H-indol-3-yl)methyl]morpholin-4-ium Openeye Name: 4-[(S)-1,3-benzodioxol-5-yl-(2-methyl-1H-indol-3-yl)methyl]morpholin-4-ium CAS Name: 4-[(S)-1,3-benzodioxol-5-yl-(2-methyl-1H-indol-3-yl)methyl]morpholin-4-ium IUPAC Name: 4-[(S)-1,3-benzodioxol-5-yl-(2-methyl-1H-indol-3-yl)methyl]morpholin-4-ium Traditional Name: 4-[(S)-1,3-benzodioxol-5-yl-(2-methyl-1H-indol-3-yl)methyl]morpholin-4-ium Formula: C21H23N2O3+ MolecularWeight: 351.41892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C3=CC4=C(C=C3)OCO4)[NH+]5CCOCC5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)[C@H](C3=CC4=C(C=C3)OCO4)[NH+]5CCOCC5

InChI

InChI=1S/C21H22N2O3/c1-14-20(16-4-2-3-5-17(16)22-14)21(23-8-10-24-11-9-23)15-6-7-18-19(12-15)26-13-25-18/h2-7,12,21-22H,8-11,13H2,1H3/p+1/t21-/m0/s1