3-methylbutyl-[(5S)-1-(2-methylpropyl)-3-pyrrolidin-1-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: 3-methylbutyl-[(5S)-1-(2-methylpropyl)-3-pyrrolidin-1-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: [(5S)-1-isobutyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-isopentyl-ammonium CAS Name: 3-methylbutyl-[(5S)-1-(2-methylpropyl)-3-[oxo(1-pyrrolidinyl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 3-methylbutyl-[(5S)-1-(2-methylpropyl)-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: isoamyl-[(5S)-1-isobutyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C21H37N4O+ MolecularWeight: 361.54468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH2+]C1CCC2=C(C1)C(=NN2CC(C)C)C(=O)N3CCCC3

Isomeric SMILES

CC(C)CC[NH2+][C@H]1CCC2=C(C1)C(=NN2CC(C)C)C(=O)N3CCCC3

InChI

InChI=1S/C21H36N4O/c1-15(2)9-10-22-17-7-8-19-18(13-17)20(23-25(19)14-16(3)4)21(26)24-11-5-6-12-24/h15-17,22H,5-14H2,1-4H3/p+1/t17-/m0/s1