N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-3,4-dimethyl-benzamide Openeye Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-3,4-dimethyl-benzamide CAS Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-morpholin-4-iumyl)ethyl]-3,4-dimethylbenzamide IUPAC Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-ylethyl]-3,4-dimethylbenzamide Traditional Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-3,4-dimethyl-benzamide Formula: C22H27N2O4+ MolecularWeight: 383.46078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(C2=CC3=C(C=C2)OCO3)[NH+]4CCOCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC[C@H](C2=CC3=C(C=C2)OCO3)[NH+]4CCOCC4)C

InChI

InChI=1S/C22H26N2O4/c1-15-3-4-18(11-16(15)2)22(25)23-13-19(24-7-9-26-10-8-24)17-5-6-20-21(12-17)28-14-27-20/h3-6,11-12,19H,7-10,13-14H2,1-2H3,(H,23,25)/p+1/t19-/m1/s1