methyl-[2-[(3-methylpyridin-4-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]-phenethyl-azanium

Systemtic Name: methyl-[2-[(3-methylpyridin-4-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]-phenethyl-azanium Openeye Name: methyl-[2-[(3-methyl-4-pyridyl)methylcarbamoyl]indan-2-yl]-phenethyl-ammonium CAS Name: methyl-[2-[[(3-methyl-4-pyridinyl)methylamino]-oxomethyl]-1,3-dihydroinden-2-yl]-phenethylammonium IUPAC Name: methyl-[2-[(3-methylpyridin-4-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]-phenethylazanium Traditional Name: methyl-[2-[(3-methyl-4-pyridyl)methylcarbamoyl]indan-2-yl]-phenethyl-ammonium Formula: C26H30N3O+ MolecularWeight: 400.5359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1)CNC(=O)C2(CC3=CC=CC=C3C2)[NH+](C)CCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CN=C1)CNC(=O)C2(CC3=CC=CC=C3C2)[NH+](C)CCC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O/c1-20-18-27-14-12-24(20)19-28-25(30)26(16-22-10-6-7-11-23(22)17-26)29(2)15-13-21-8-4-3-5-9-21/h3-12,14,18H,13,15-17,19H2,1-2H3,(H,28,30)/p+1