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

Systemtic Name: N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethyleneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethyleneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C22H27N4O3+ MolecularWeight: 395.47478

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NN=CC2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)N/N=C\C2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

InChI

InChI=1S/C22H26N4O3/c27-22(24-23-17-18-6-7-20-21(16-18)29-15-14-28-20)8-9-25-10-12-26(13-11-25)19-4-2-1-3-5-19/h1-7,16-17H,8-15H2,(H,24,27)/p+1/b23-17-