methyl-phenethyl-[2-(pyridin-3-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]azanium

Systemtic Name: methyl-phenethyl-[2-(pyridin-3-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]azanium Openeye Name: methyl-phenethyl-[2-(3-pyridylmethylcarbamoyl)indan-2-yl]ammonium CAS Name: methyl-[2-[oxo-(3-pyridinylmethylamino)methyl]-1,3-dihydroinden-2-yl]-phenethylammonium IUPAC Name: methyl-phenethyl-[2-(pyridin-3-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]azanium Traditional Name: methyl-phenethyl-[2-(3-pyridylmethylcarbamoyl)indan-2-yl]ammonium Formula: C25H28N3O+ MolecularWeight: 386.50932

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)C2(CC3=CC=CC=C3C2)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)C2(CC3=CC=CC=C3C2)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C25H27N3O/c1-28(15-13-20-8-3-2-4-9-20)25(16-22-11-5-6-12-23(22)17-25)24(29)27-19-21-10-7-14-26-18-21/h2-12,14,18H,13,15-17,19H2,1H3,(H,27,29)/p+1