1-[9-(4-aminophenyl)-10-prop-2-enyl-acridin-10-ium-1-yl]-2-azanyl-propan-1-one chloride

Systemtic Name: 1-[9-(4-aminophenyl)-10-prop-2-enyl-acridin-10-ium-1-yl]-2-azanyl-propan-1-one chloride Openeye Name: 1-[10-allyl-9-(4-aminophenyl)acridin-10-ium-1-yl]-2-amino-propan-1-one chloride CAS Name: 2-amino-1-[9-(4-aminophenyl)-10-prop-2-enyl-1-acridin-10-iumyl]-1-propanone chloride IUPAC Name: 2-amino-1-[9-(4-aminophenyl)-10-prop-2-enylacridin-10-ium-1-yl]propan-1-one chloride Traditional Name: 1-[10-allyl-9-(4-aminophenyl)acridin-10-ium-1-yl]-2-amino-propan-1-one chloride Formula: C25H24ClN3O MolecularWeight: 417.93056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC2=[N+](C3=CC=CC=C3C(=C21)C4=CC=C(C=C4)N)CC=C)N.[Cl-]

Isomeric SMILES

CC(C(=O)C1=CC=CC2=[N+](C3=CC=CC=C3C(=C21)C4=CC=C(C=C4)N)CC=C)N.[Cl-]

InChI

InChI=1S/C25H23N3O.ClH/c1-3-15-28-21-9-5-4-7-19(21)23(17-11-13-18(27)14-12-17)24-20(25(29)16(2)26)8-6-10-22(24)28;/h3-14,16,27H,1,15,26H2,2H3;1H