ethyl N-[4-[[8-(ethoxycarbonylamino)-5-methyl-phenanthridin-5-ium-6-yl]methyl]phenyl]carbamate

Systemtic Name: ethyl N-[4-[[8-(ethoxycarbonylamino)-5-methyl-phenanthridin-5-ium-6-yl]methyl]phenyl]carbamate Openeye Name: ethyl N-[4-[[8-(ethoxycarbonylamino)-5-methyl-phenanthridin-5-ium-6-yl]methyl]phenyl]carbamate CAS Name: N-[4-[[8-(ethoxycarbonylamino)-5-methyl-6-phenanthridin-5-iumyl]methyl]phenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-[[8-(ethoxycarbonylamino)-5-methylphenanthridin-5-ium-6-yl]methyl]phenyl]carbamate Traditional Name: N-[6-[4-(carbethoxyamino)benzyl]-5-methyl-phenanthridin-5-ium-8-yl]carbamic acid ethyl ester Formula: C27H28N3O4+ MolecularWeight: 458.52892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC=C(C=C1)CC2=[N+](C3=CC=CC=C3C4=C2C=C(C=C4)NC(=O)OCC)C

Isomeric SMILES

CCOC(=O)NC1=CC=C(C=C1)CC2=[N+](C3=CC=CC=C3C4=C2C=C(C=C4)NC(=O)OCC)C

InChI

InChI=1S/C27H27N3O4/c1-4-33-26(31)28-19-12-10-18(11-13-19)16-25-23-17-20(29-27(32)34-5-2)14-15-21(23)22-8-6-7-9-24(22)30(25)3/h6-15,17H,4-5,16H2,1-3H3,(H-,28,29,31,32)/p+1