(4-methoxyphenyl)methyl-[(5S)-1-methyl-3-pyrrolidin-1-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: (4-methoxyphenyl)methyl-[(5S)-1-methyl-3-pyrrolidin-1-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: (4-methoxyphenyl)methyl-[(5S)-1-methyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: (4-methoxyphenyl)methyl-[(5S)-1-methyl-3-[oxo(1-pyrrolidinyl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: (4-methoxyphenyl)methyl-[(5S)-1-methyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: [(5S)-1-methyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-p-anisyl-ammonium Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH2+]CC3=CC=C(C=C3)OC)C(=N1)C(=O)N4CCCC4

Isomeric SMILES

CN1C2=C(C[C@H](CC2)[NH2+]CC3=CC=C(C=C3)OC)C(=N1)C(=O)N4CCCC4

InChI

InChI=1S/C21H28N4O2/c1-24-19-10-7-16(22-14-15-5-8-17(27-2)9-6-15)13-18(19)20(23-24)21(26)25-11-3-4-12-25/h5-6,8-9,16,22H,3-4,7,10-14H2,1-2H3/p+1/t16-/m0/s1