2-(2-azanylpropylamino)propyl-tris(phenylcarbonyl)azanium

Systemtic Name: 2-(2-azanylpropylamino)propyl-tris(phenylcarbonyl)azanium Openeye Name: 2-(2-aminopropylamino)propyl-tribenzoyl-ammonium CAS Name: 2-(2-aminopropylamino)propyl-tribenzoylammonium IUPAC Name: 2-(2-aminopropylamino)propyl-tribenzoylazanium Traditional Name: 2-(2-aminopropylamino)propyl-tribenzoyl-ammonium Formula: C27H30N3O3+ MolecularWeight: 444.5454

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(C)C[N+](C(=O)C1=CC=CC=C1)(C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3)N

Isomeric SMILES

CC(CNC(C)C[N+](C(=O)C1=CC=CC=C1)(C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3)N

InChI

InChI=1S/C27H30N3O3/c1-20(28)18-29-21(2)19-30(25(31)22-12-6-3-7-13-22,26(32)23-14-8-4-9-15-23)27(33)24-16-10-5-11-17-24/h3-17,20-21,29H,18-19,28H2,1-2H3/q+1