2-adamantylmethyl-[(5R)-1-prop-2-enyl-3-pyrrolidin-1-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: 2-adamantylmethyl-[(5R)-1-prop-2-enyl-3-pyrrolidin-1-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: 2-adamantylmethyl-[(5R)-1-allyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 2-adamantylmethyl-[(5R)-3-[oxo(1-pyrrolidinyl)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 2-adamantylmethyl-[(5R)-1-prop-2-enyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: 2-adamantylmethyl-[(5R)-1-allyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C26H39N4O+ MolecularWeight: 423.61406

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(CC(CC2)[NH2+]CC3C4CC5CC(C4)CC3C5)C(=N1)C(=O)N6CCCC6

Isomeric SMILES

C=CCN1C2=C(C[C@@H](CC2)[NH2+]CC3C4CC5CC(C4)CC3C5)C(=N1)C(=O)N6CCCC6

InChI

InChI=1S/C26H38N4O/c1-2-7-30-24-6-5-21(15-22(24)25(28-30)26(31)29-8-3-4-9-29)27-16-23-19-11-17-10-18(13-19)14-20(23)12-17/h2,17-21,23,27H,1,3-16H2/p+1/t17?,18?,19?,20?,21-,23?/m1/s1