N-[3-acetamido-5-[(3-oxidanylpropylamino)methyl]-6-phenyl-phenanthridin-5-ium-8-yl]ethanamide

Systemtic Name: N-[3-acetamido-5-[(3-oxidanylpropylamino)methyl]-6-phenyl-phenanthridin-5-ium-8-yl]ethanamide Openeye Name: N-[3-acetamido-5-[(3-hydroxypropylamino)methyl]-6-phenyl-phenanthridin-5-ium-8-yl]acetamide CAS Name: N-[3-acetamido-5-[(3-hydroxypropylamino)methyl]-6-phenyl-8-phenanthridin-5-iumyl]acetamide IUPAC Name: N-[3-acetamido-5-[(3-hydroxypropylamino)methyl]-6-phenylphenanthridin-5-ium-8-yl]acetamide Traditional Name: N-[3-acetamido-5-[(3-hydroxypropylamino)methyl]-6-phenyl-phenanthridin-5-ium-8-yl]acetamide Formula: C27H29N4O3+ MolecularWeight: 457.54416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O3/c1-18(33)29-21-9-11-23-24-12-10-22(30-19(2)34)16-26(24)31(17-28-13-6-14-32)27(25(23)15-21)20-7-4-3-5-8-20/h3-5,7-12,15-16,28,32H,6,13-14,17H2,1-2H3,(H,29,33)/p+1