prop-2-enyl N-[5-(3-iodanylpropyl)-6-phenyl-3-(prop-2-enoxycarbonylamino)phenanthridin-5-ium-8-yl]carbamate

Systemtic Name: prop-2-enyl N-[5-(3-iodanylpropyl)-6-phenyl-3-(prop-2-enoxycarbonylamino)phenanthridin-5-ium-8-yl]carbamate Openeye Name: allyl N-[3-(allyloxycarbonylamino)-5-(3-iodopropyl)-6-phenyl-phenanthridin-5-ium-8-yl]carbamate CAS Name: N-[5-(3-iodopropyl)-3-[[oxo(prop-2-enoxy)methyl]amino]-6-phenyl-8-phenanthridin-5-iumyl]carbamic acid prop-2-enyl ester IUPAC Name: prop-2-enyl N-[5-(3-iodopropyl)-6-phenyl-3-(prop-2-enoxycarbonylamino)phenanthridin-5-ium-8-yl]carbamate Traditional Name: N-[3-(allyloxycarbonylamino)-5-(3-iodopropyl)-6-phenyl-phenanthridin-5-ium-8-yl]carbamic acid allyl ester Formula: C30H29IN3O4+ MolecularWeight: 622.47343

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)NC1=CC2=C([N+](=C3C=C(C=CC3=C2C=C1)NC(=O)OCC=C)CCCI)C4=CC=CC=C4

Isomeric SMILES

C=CCOC(=O)NC1=CC2=C([N+](=C3C=C(C=CC3=C2C=C1)NC(=O)OCC=C)CCCI)C4=CC=CC=C4

InChI

InChI=1S/C30H28IN3O4/c1-3-17-37-29(35)32-22-11-13-24-25-14-12-23(33-30(36)38-18-4-2)20-27(25)34(16-8-15-31)28(26(24)19-22)21-9-6-5-7-10-21/h3-7,9-14,19-20H,1-2,8,15-18H2,(H,32,35)/p+1