N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-ylidene]amino]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-ylidene]amino]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(Z)-[(2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethylidene]amino]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(Z)-[(1S)-1-(4-morpholin-4-iumyl)-1-phenylpropan-2-ylidene]amino]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(Z)-[(2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethylidene]amino]-piperonylamide Formula: C21H24N3O4+ MolecularWeight: 382.43296

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC2=C(C=C1)OCO2)C(C3=CC=CC=C3)[NH+]4CCOCC4

Isomeric SMILES

C/C(=N/NC(=O)C1=CC2=C(C=C1)OCO2)/[C@H](C3=CC=CC=C3)[NH+]4CCOCC4

InChI

InChI=1S/C21H23N3O4/c1-15(20(16-5-3-2-4-6-16)24-9-11-26-12-10-24)22-23-21(25)17-7-8-18-19(13-17)28-14-27-18/h2-8,13,20H,9-12,14H2,1H3,(H,23,25)/p+1/b22-15-/t20-/m1/s1