methyl-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]-1,3-dihydroinden-2-yl]-phenethyl-azanium

Systemtic Name: methyl-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]-1,3-dihydroinden-2-yl]-phenethyl-azanium Openeye Name: methyl-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]indan-2-yl]-phenethyl-ammonium CAS Name: methyl-[2-[[methyl-[(1-methyl-4-pyrazolyl)methyl]amino]-oxomethyl]-1,3-dihydroinden-2-yl]-phenethylammonium IUPAC Name: methyl-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]-1,3-dihydroinden-2-yl]-phenethylazanium Traditional Name: methyl-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]indan-2-yl]-phenethyl-ammonium Formula: C25H31N4O+ MolecularWeight: 403.53984

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN(C)C(=O)C2(CC3=CC=CC=C3C2)[NH+](C)CCC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C=N1)CN(C)C(=O)C2(CC3=CC=CC=C3C2)[NH+](C)CCC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O/c1-27(18-21-17-26-29(3)19-21)24(30)25(15-22-11-7-8-12-23(22)16-25)28(2)14-13-20-9-5-4-6-10-20/h4-12,17,19H,13-16,18H2,1-3H3/p+1