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

Systemtic Name: butyl-[(5S)-1-methyl-3-pyrrolidin-1-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]-(phenylmethyl)azanium Openeye Name: benzyl-butyl-[(5S)-1-methyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: butyl-[(5S)-1-methyl-3-[oxo(1-pyrrolidinyl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]-(phenylmethyl)ammonium IUPAC Name: benzyl-butyl-[(5S)-1-methyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: benzyl-butyl-[(5S)-1-methyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C24H35N4O+ MolecularWeight: 395.5609

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC1=CC=CC=C1)C2CCC3=C(C2)C(=NN3C)C(=O)N4CCCC4

Isomeric SMILES

CCCC[NH+](CC1=CC=CC=C1)[C@H]2CCC3=C(C2)C(=NN3C)C(=O)N4CCCC4

InChI

InChI=1S/C24H34N4O/c1-3-4-14-28(18-19-10-6-5-7-11-19)20-12-13-22-21(17-20)23(25-26(22)2)24(29)27-15-8-9-16-27/h5-7,10-11,20H,3-4,8-9,12-18H2,1-2H3/p+1/t20-/m0/s1