(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-[(2-methylphenyl)methyl]pyrrolidin-1-ium

Systemtic Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-[(2-methylphenyl)methyl]pyrrolidin-1-ium Openeye Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(o-tolylmethyl)pyrrolidin-1-ium CAS Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-[(2-methylphenyl)methyl]pyrrolidin-1-ium IUPAC Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-[(2-methylphenyl)methyl]pyrrolidin-1-ium Traditional Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-methylbenzyl)pyrrolidin-1-ium Formula: C21H26NO2+ MolecularWeight: 324.43664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC[C@H]2C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H25NO2/c1-16-6-2-3-7-18(16)15-22-11-4-8-19(22)17-9-10-20-21(14-17)24-13-5-12-23-20/h2-3,6-7,9-10,14,19H,4-5,8,11-13,15H2,1H3/p+1/t19-/m0/s1