N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-3-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-[(Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C23H29N4O3+ MolecularWeight: 409.50136

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)CC[NH+]1CCN(CC1)C2=CC=CC=C2)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C/C(=N/NC(=O)CC[NH+]1CCN(CC1)C2=CC=CC=C2)/C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H28N4O3/c1-18(19-7-8-21-22(17-19)30-16-15-29-21)24-25-23(28)9-10-26-11-13-27(14-12-26)20-5-3-2-4-6-20/h2-8,17H,9-16H2,1H3,(H,25,28)/p+1/b24-18-